Predecessor_CID,Predecessor_Name,Predecessor_SMILES,Transformation,Successor_CID,Successor_Name,Successor_SMILES,Evidence_DOI,Evidence_Ref,Source_Comment,Source_Comment_full,Dataset_DOI,Dataset_Ref,Enzyme,Biosystem,Reaction_SMILES,Notes
441300,Abacavir,C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO,Phase II,29969962,Abacavir-glucuronide,C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO>[Phase II]>C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O Abacavir to Abacavir-glucuronide,NA
441300,Abacavir,C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO,Phase I,56927907,Abacavir carboxylate,C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO>[Phase I]>C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)C(=O)O Abacavir to Abacavir carboxylate,NA
441300,Abacavir,C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO,Phase II,169502249,Abacavir-5'-phosphate,C1=C[C@@H](C[C@@H]1COP(=O)(O)O)N1CNC2C(NC3CC3)[NH]C(=N)NC12,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO>[Phase II]>C1=C[C@@H](C[C@@H]1COP(=O)(O)O)N1CNC2C(NC3CC3)[NH]C(=N)NC12 Abacavir to Abacavir-5'-phosphate,NA
9821849,Abiraterone Acetate,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C,Phase I,132971,Abiraterone,C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C>[Phase I]>C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O Abiraterone Acetate to Abiraterone,NA
9821849,Abiraterone Acetate,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C,Phase I,196941,D4-Abiraterone,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C>[Phase I]>C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C Abiraterone Acetate to D4-Abiraterone,NA
9821849,Abiraterone Acetate,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C,Phase I,44461241,5α-Abi,C[C@]12CCC(C[C@]1([H])CCC3C2CC[C@@]4(C)C3CC=C4C5=CC=CN=C5)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Li et al, Nature, 533(7604), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C>[Phase I]>C[C@]12CCC(C[C@]1([H])CCC3C2CC[C@@]4(C)C3CC=C4C5=CC=CN=C5)=O Abiraterone Acetate to 5α-Abi,NA
9821849,Abiraterone Acetate,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C,Phase I,44461377,3-α-Hydroxy-5α-Abi,C[C@]12CC[C@@H](O)C[C@]1([H])CCC3C2CC[C@@]4(C)C3CC=C4C5=CC=CN=C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Li et al, Nature, 533(7604), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C>[Phase I]>C[C@]12CC[C@@H](O)C[C@]1([H])CCC3C2CC[C@@]4(C)C3CC=C4C5=CC=CN=C5 Abiraterone Acetate to 3-α-Hydroxy-5α-Abi,NA
9821849,Abiraterone Acetate,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C,Phase I + II,71312701,Abiraterone-sulfate,C[C@]12CCC(CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)OS(=O)(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C>[Phase I + II]>C[C@]12CCC(CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)OS(=O)(=O)O Abiraterone Acetate to Abiraterone-sulfate,NA
9821849,Abiraterone Acetate,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C,Phase I + II,91826892,Abiraterone-N-oxide-sulfate,C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=C[N+](=CC=C5)[O-])C)OS(=O)(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C>[Phase I + II]>C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=C[N+](=CC=C5)[O-])C)OS(=O)(=O)O Abiraterone Acetate to Abiraterone-N-oxide-sulfate,NA
9821849,Abiraterone Acetate,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C,Phase I,122535728,3-β-Hydroxy-5β-Abi,C[C@]12CC[C@H](O)C[C@@]1([H])CCC3C2CC[C@@]4(C)C3CC=C4C5=CC=CN=C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Li et al, Nature, 533(7604), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C>[Phase I]>C[C@]12CC[C@H](O)C[C@@]1([H])CCC3C2CC[C@@]4(C)C3CC=C4C5=CC=CN=C5 Abiraterone Acetate to 3-β-Hydroxy-5β-Abi,NA
9821849,Abiraterone Acetate,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C,Phase I,122535729,3-α-Hydroxy-5β-Abi,C[C@]12CC[C@@H](O)C[C@@]1([H])CCC3C2CC[C@@]4(C)C3CC=C4C5=CC=CN=C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Li et al, Nature, 533(7604), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C>[Phase I]>C[C@]12CC[C@@H](O)C[C@@]1([H])CCC3C2CC[C@@]4(C)C3CC=C4C5=CC=CN=C5 Abiraterone Acetate to 3-α-Hydroxy-5β-Abi,NA
9821849,Abiraterone Acetate,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C,Phase I,122535730,5β-Abi,C[C@]12CCC(C[C@@]1([H])CCC3C2CC[C@@]4(C)C3CC=C4C5=CC=CN=C5)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Li et al, Nature, 533(7604), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C>[Phase I]>C[C@]12CCC(C[C@@]1([H])CCC3C2CC[C@@]4(C)C3CC=C4C5=CC=CN=C5)=O Abiraterone Acetate to 5β-Abi,NA
9821849,Abiraterone Acetate,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C,Phase I,129012002,Abiraterone-N-oxide ,C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4C5=C[N+]([O-])=CC=C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Benoist et al., Clin. Pharmacokinet., 55, 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C>[Phase I]>C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4C5=C[N+]([O-])=CC=C5 Abiraterone Acetate to Abiraterone-N-oxide ,NA
9821849,Abiraterone Acetate,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C,Phase I,169502170,3-β-Hydroxy-5α-Abi,C[C@]12CC[C@H](O)C[C@]1([H])CCC3C2CC[C@@]4(C)C3CC=C4C5=CC=CN=C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Li et al, Nature, 533(7604), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C>[Phase I]>C[C@]12CC[C@H](O)C[C@]1([H])CCC3C2CC[C@@]4(C)C3CC=C4C5=CC=CN=C5 Abiraterone Acetate to 3-β-Hydroxy-5α-Abi,NA
71158,Acamprosate,CC(=O)NCCCS(=O)(=O)O,Phase I,1646,Homotaurine/Tramiprosate,C(CN)CS(=O)(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)NCCCS(=O)(=O)O>[Phase I]>C(CN)CS(=O)(=O)O Acamprosate to Homotaurine/Tramiprosate,NA
1981,Acemetacin,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O,Phase I,3715,Indomethacin,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O>[Phase I]>CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O Acemetacin to Indomethacin,NA
1981,Acemetacin,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O,Phase I,3715,O-Desmethyl-des-4-chlorobenzoylacemetacin,COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O>[Phase I]>COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O Acemetacin to O-Desmethyl-des-4-chlorobenzoylacemetacin,NA
1981,Acemetacin,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O,Phase I,76151,Des-4-chlorobenzoyl-indomethacin,CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O>[Phase I]>CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)O Acemetacin to Des-4-chlorobenzoyl-indomethacin,NA
1981,Acemetacin,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O,Phase I,21150398,O-Desmethylacemetacin,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)O)CC(=O)OCC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O>[Phase I]>CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)O)CC(=O)OCC(=O)O Acemetacin to O-Desmethylacemetacin,NA
1981,Acemetacin,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O,Phase I + II,75212996,O-Desmethyl-des-4-chlorobenzoylacemetacin-glucuronide,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O>[Phase I + II]>CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O Acemetacin to O-Desmethyl-des-4-chlorobenzoylacemetacin-glucuronide,NA
1981,Acemetacin,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O,Phase I + II,129627227,Acemetacin-acyl-β-D-glucuronide,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O[C@H]4C(C([C@@H](C(O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O>[Phase I + II]>CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O[C@H]4C(C([C@@H](C(O4)C(=O)O)O)O)O Acemetacin to Acemetacin-acyl-β-D-glucuronide,NA
1981,Acemetacin,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O,Phase I + II,169501939,Des-4-chlorobenzoyl-indomethacin-glucuronide,COC1=CC2=C(NC(C)=C2CC(O)OC2OC(C(O)C(O)C2O)C(O)=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O>[Phase I + II]>COC1=CC2=C(NC(C)=C2CC(O)OC2OC(C(O)C(O)C2O)C(O)=O)C=C1 Acemetacin to Des-4-chlorobenzoyl-indomethacin-glucuronide,NA
1986,Acetazolamide,CC(=O)NC1=NN=C(S1)S(=O)(=O)N,Phase I + II,169502107,Acetazolamide M3,O[C@@H]([C@@H]([C@H]1O)O)[C@@H](C(O)=O)OC1OCC(NC2=NN=C(S2)S(=O)(N)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Busardò et al., Toxicokinetics and Metabolism, 96, 2022",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)NC1=NN=C(S1)S(=O)(=O)N>[Phase I + II]>O[C@@H]([C@@H]([C@H]1O)O)[C@@H](C(O)=O)OC1OCC(NC2=NN=C(S2)S(=O)(N)=O)=O Acetazolamide to Acetazolamide M3,NA
1986,Acetazolamide,CC(=O)NC1=NN=C(S1)S(=O)(=O)N,Phase II,169501845,Acetazolamide M4,O[C@@H]1[C@@H](C(O)=O)OC(NS(C(S2)=NN=C2NC(C)=O)(=O)=O)[C@H](O)[C@H]1O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Busardò et al., Toxicokinetics and Metabolism, 96, 2022",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)NC1=NN=C(S1)S(=O)(=O)N>[Phase II]>O[C@@H]1[C@@H](C(O)=O)OC(NS(C(S2)=NN=C2NC(C)=O)(=O)=O)[C@H](O)[C@H]1O Acetazolamide to Acetazolamide M4,NA
1986,Acetazolamide,CC(=O)NC1=NN=C(S1)S(=O)(=O)N,Phase I,169501856,Acetazolamide M2,CC(NC1=NN=C(SCC(C(O)=O)N)S1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Busardò et al., Toxicokinetics and Metabolism, 96, 2022",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)NC1=NN=C(S1)S(=O)(=O)N>[Phase I]>CC(NC1=NN=C(SCC(C(O)=O)N)S1)=O Acetazolamide to Acetazolamide M2,NA
1986,Acetazolamide,CC(=O)NC1=NN=C(S1)S(=O)(=O)N,Phase I,53734773,Acetazolamide M1,O=C(NC1=NN=C(S(=O)(N)=O)S1)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Busardò et al., Toxicokinetics and Metabolism, 96, 2022",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)NC1=NN=C(S1)S(=O)(=O)N>[Phase I]>O=C(NC1=NN=C(S(=O)(N)=O)S1)CO Acetazolamide to Acetazolamide M1,NA
1986,Acetazolamide,CC(=O)NC1=NN=C(S1)S(=O)(=O)N,Phase I,20608147,Acetazolamide M5,CC(NC1=NN=C(S(=O)(NC(C)=O)=O)S1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Busardò et al., Toxicokinetics and Metabolism, 96, 2022",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)NC1=NN=C(S1)S(=O)(=O)N>[Phase I]>CC(NC1=NN=C(S(=O)(NC(C)=O)=O)S1)=O Acetazolamide to Acetazolamide M5,NA
12035,Acetylcysteine,CC(=O)N[C@@H](CS)C(=O)O,Phase I,5862,Cysteine,C([C@@H](C(=O)O)N)S,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)N[C@@H](CS)C(=O)O>[Phase I]>C([C@@H](C(=O)O)N)S Acetylcysteine to Cysteine,NA
2244,Acetylsalicylic Acid,CC(=O)OC1=CC=CC=C1C(=O)O,Phase I,338,Salicylic acid,C1=CC=C(C(=C1)C(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)OC1=CC=CC=C1C(=O)O>[Phase I]>C1=CC=C(C(=C1)C(=O)O)O Acetylsalicylic Acid to Salicylic acid,NA
2244,Acetylsalicylic Acid,CC(=O)OC1=CC=CC=C1C(=O)O,Phase I,3469,Gentisic acid,C1=CC(=C(C=C1O)C(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)OC1=CC=CC=C1C(=O)O>[Phase I]>C1=CC(=C(C=C1O)C(=O)O)O Acetylsalicylic Acid to Gentisic acid,NA
2244,Acetylsalicylic Acid,CC(=O)OC1=CC=CC=C1C(=O)O,Phase I,10253,Salicyluric acid,C1=CC=C(C(=C1)C(=O)NCC(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)OC1=CC=CC=C1C(=O)O>[Phase I]>C1=CC=C(C(=C1)C(=O)NCC(=O)O)O Acetylsalicylic Acid to Salicyluric acid,NA
2244,Acetylsalicylic Acid,CC(=O)OC1=CC=CC=C1C(=O)O,Phase I + II,87235,Phenolic-glucuronide,[H][C@@]1(OC2=CC=CC=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)OC1=CC=CC=C1C(=O)O>[Phase I + II]>[H][C@@]1(OC2=CC=CC=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O Acetylsalicylic Acid to Phenolic-glucuronide,NA
2244,Acetylsalicylic Acid,CC(=O)OC1=CC=CC=C1C(=O)O,Phase I + II,14427757,Salicylic acid-acyl-glucuoronide,C1=CC=C(C(=C1)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)OC1=CC=CC=C1C(=O)O>[Phase I + II]>C1=CC=C(C(=C1)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O Acetylsalicylic Acid to Salicylic acid-acyl-glucuoronide,NA
2244,Acetylsalicylic Acid,CC(=O)OC1=CC=CC=C1C(=O)O,Phase I + II,169501861,Salicyluric-sulfate,O=C(NCC(OS(=O)(O)=O)=O)C1=CC=CC=C1O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)OC1=CC=CC=C1C(=O)O>[Phase I + II]>O=C(NCC(OS(=O)(O)=O)=O)C1=CC=CC=C1O Acetylsalicylic Acid to Salicyluric-sulfate,NA
135398513,Aciclovir,C1=NC2=C(N1COCCO)N=C(NC2=O)N,"Phase II, Phase I + II",135405018,Acyclovir-triphosphate,O=P(OP(O)(OP(O)(O)=O)=O)(O)OCCOCN1C(N=C(N)NC2=O)=C2N=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"C1=NC2=C(N1COCCO)N=C(NC2=O)N>[Phase II, Phase I + II]>O=P(OP(O)(OP(O)(O)=O)=O)(O)OCCOCN1C(N=C(N)NC2=O)=C2N=C1 Aciclovir to Acyclovir-triphosphate",NA
135398513,Aciclovir,C1=NC2=C(N1COCCO)N=C(NC2=O)N,"Phase II, Phase I + II",135422933,Acyclovir-monophosphate,C1=NC2=C(N1COCCOP(=O)(O)O)N=C(NC2=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"C1=NC2=C(N1COCCO)N=C(NC2=O)N>[Phase II, Phase I + II]>C1=NC2=C(N1COCCOP(=O)(O)O)N=C(NC2=O)N Aciclovir to Acyclovir-monophosphate",NA
135398513,Aciclovir,C1=NC2=C(N1COCCO)N=C(NC2=O)N,"Phase II, Phase I + II",135434163,Acyclovir-diphosphate,O=P(OP(O)(O)=O)(O)OCCOCN1C(N=C(N)NC2=O)=C2N=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"C1=NC2=C(N1COCCO)N=C(NC2=O)N>[Phase II, Phase I + II]>O=P(OP(O)(O)=O)(O)OCCOCN1C(N=C(N)NC2=O)=C2N=C1 Aciclovir to Acyclovir-diphosphate",NA
135398513,Aciclovir,C1=NC2=C(N1COCCO)N=C(NC2=O)N,Phase I,135508007,9-Carboxymethoxymethylguanine,C1=NC2=C(N1COCC(=O)O)N=C(NC2=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1=NC2=C(N1COCCO)N=C(NC2=O)N>[Phase I]>C1=NC2=C(N1COCC(=O)O)N=C(NC2=O)N Aciclovir to 9-Carboxymethoxymethylguanine,NA
135398513,Aciclovir,C1=NC2=C(N1COCCO)N=C(NC2=O)N,Phase I,135530051,8-Hydroxyacyclovir (8-OH-ACV),C(COCN1C2=C(C(=O)NC(=N2)N)NC1=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1=NC2=C(N1COCCO)N=C(NC2=O)N>[Phase I]>C(COCN1C2=C(C(=O)NC(=N2)N)NC1=O)O Aciclovir to 8-Hydroxyacyclovir (8-OH-ACV),NA
5493444,Aliskiren,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N,Phase I,11159315,Aliskiren metabolite M9 2,NCC(C)(C(N)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N>[Phase I]>NCC(C)(C(N)=O)C Aliskiren to Aliskiren metabolite M9 2,NA
5493444,Aliskiren,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N,Phase I + II,169502017,Aliskiren metabolite M6,CC([C@H](C[C@H](N)[C@@H](O)C[C@H](C(NCC(C)(C(N)=O)C)=O)C(C)C)CC1=CC(OC2OC(C(O)=O)C(O)C(O)C2O)=C(OC)C=C1)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N>[Phase I + II]>CC([C@H](C[C@H](N)[C@@H](O)C[C@H](C(NCC(C)(C(N)=O)C)=O)C(C)C)CC1=CC(OC2OC(C(O)=O)C(O)C(O)C2O)=C(OC)C=C1)C Aliskiren to Aliskiren metabolite M6,NA
5493444,Aliskiren,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N,Phase I,71315708,Aliskiren metabolite M3,CC([C@H](C[C@H](N)[C@@H](O)C[C@H](C(NCC(C)(C(N)=O)C)=O)C(C)C)CC1=CC(OCCCO)=C(OC)C=C1)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N>[Phase I]>CC([C@H](C[C@H](N)[C@@H](O)C[C@H](C(NCC(C)(C(N)=O)C)=O)C(C)C)CC1=CC(OCCCO)=C(OC)C=C1)C Aliskiren to Aliskiren metabolite M3,NA
5493444,Aliskiren,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N,Phase I,73603892,Aliskiren metabolite M4,CC([C@H](C[C@H](N)[C@@H](O)C[C@H](C(NCC(C)(C(N)=O)C)=O)C(C)C)CC1=CC(O)=C(OC)C=C1)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N>[Phase I]>CC([C@H](C[C@H](N)[C@@H](O)C[C@H](C(NCC(C)(C(N)=O)C)=O)C(C)C)CC1=CC(O)=C(OC)C=C1)C Aliskiren to Aliskiren metabolite M4,NA
5493444,Aliskiren,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N,Phase I,71315706,Aliskiren metabolite M2,CC([C@H](C[C@H](N)[C@@H](O)C[C@H](C(NCC(C)(C(N)=O)C)=O)C(C)C)CC1=CC(OCCC(O)=O)=C(OC)C=C1)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N>[Phase I]>CC([C@H](C[C@H](N)[C@@H](O)C[C@H](C(NCC(C)(C(N)=O)C)=O)C(C)C)CC1=CC(OCCC(O)=O)=C(OC)C=C1)C Aliskiren to Aliskiren metabolite M2,NA
5493444,Aliskiren,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N,Phase I,169501923,Aliskiren metabolite M9 1,CC([C@H](C[C@H](N)[C@@H]1C[C@H](CO1)C(C)C)CC2=CC(OCCCOC)=C(OC)C=C2)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N>[Phase I]>CC([C@H](C[C@H](N)[C@@H]1C[C@H](CO1)C(C)C)CC2=CC(OCCCOC)=C(OC)C=C2)C Aliskiren to Aliskiren metabolite M9 1,NA
5493444,Aliskiren,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N,Phase I,9873303,Aliskiren metabolite M12,CC([C@H](C[C@H](NC(C)=O)[C@@H](O)C[C@H](C(NCC(C)(C(N)=O)C)=O)C(C)C)CC1=CC(OCCCOC)=C(OC)C=C1)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N>[Phase I]>CC([C@H](C[C@H](NC(C)=O)[C@@H](O)C[C@H](C(NCC(C)(C(N)=O)C)=O)C(C)C)CC1=CC(OCCCOC)=C(OC)C=C1)C Aliskiren to Aliskiren metabolite M12,NA
135401907,Allopurinol,C1=NNC2=C1C(=O)NC=N2,Phase I,135398752,Oxypurinol,C1=NNC2=C1C(=O)NC(=O)N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1=NNC2=C1C(=O)NC=N2>[Phase I]>C1=NNC2=C1C(=O)NC(=O)N2 Allopurinol to Oxypurinol,NA
2157,Amiodarone,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I,Phase I,12052426,3'-Hydroxydesethylamiodarone,CC(O)CCC1=C(C(C2=CC(I)=C(OCCNCC)C(I)=C2)=O)C3=CC=CC=C3O1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I>[Phase I]>CC(O)CCC1=C(C(C2=CC(I)=C(OCCNCC)C(I)=C2)=O)C3=CC=CC=C3O1 Amiodarone to 3'-Hydroxydesethylamiodarone,NA
2157,Amiodarone,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I,Phase I,12052424,3'-Hydroxylamiodarone,CC(O)CCC1=C(C(C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)=O)C3=CC=CC=C3O1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I>[Phase I]>CC(O)CCC1=C(C(C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)=O)C3=CC=CC=C3O1 Amiodarone to 3'-Hydroxylamiodarone,NA
2157,Amiodarone,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I,Phase I,125134,"N,N-Didesethylamiodarone",CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC(I)=C(C(I)=C3)OCCN)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Colunga Biancatelli et al., J. Geriatric Cardiology, 16(7), 2019",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I>[Phase I]>CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC(I)=C(C(I)=C3)OCCN)=O Amiodarone to N,N-Didesethylamiodarone",NA
2157,Amiodarone,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I,Phase I,104774,N-Desethylamiodarone,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCNCC)I,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I>[Phase I]>CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCNCC)I Amiodarone to N-Desethylamiodarone,NA
2157,Amiodarone,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I,Phase I,13455780,Deaminated amiodarone,CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC(I)=C(C(I)=C3)OCCO)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Colunga Biancatelli et al., J. Geriatric Cardiology, 16(7), 2019",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I>[Phase I]>CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC(I)=C(C(I)=C3)OCCO)=O Amiodarone to Deaminated amiodarone,NA
2157,Amiodarone,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I,Phase I,74769,O-Desalkylamiodarone,CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC(I)=C(C(I)=C3)O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Colunga Biancatelli et al., J. Geriatric Cardiology, 16(7), 2019",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I>[Phase I]>CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC(I)=C(C(I)=C3)O)=O Amiodarone to O-Desalkylamiodarone,NA
2159,Amisulpride,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC,Phase I,169501943,Amisulpride metabolite C4,CCN1CCCC1C(NC(C2=CC(S(=O)(CC)=O)=C(N)C=C2OC)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC>[Phase I]>CCN1CCCC1C(NC(C2=CC(S(=O)(CC)=O)=C(N)C=C2OC)=O)=O Amisulpride to Amisulpride metabolite C4,NA
2159,Amisulpride,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC,Phase I,3022552,Desethylamisulpride C2,CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NCC2CCCN2)OC)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC>[Phase I]>CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NCC2CCCN2)OC)N Amisulpride to Desethylamisulpride C2,NA
2159,Amisulpride,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC,Phase I,169501957,Hydroxyamisulpride C1,CCN1CCCC1CNC(C2=CC(S(=O)(CC)=O)=C(N)C(O)=C2OC)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC>[Phase I]>CCN1CCCC1CNC(C2=CC(S(=O)(CC)=O)=C(N)C(O)=C2OC)=O Amisulpride to Hydroxyamisulpride C1,NA
2159,Amisulpride,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC,Phase I,169501972,Amisulpride metabolite C32,CCN1CC(C)=CC1CNC(C2=CC(S(=O)(CC)=O)=C(N)C=C2OC)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC>[Phase I]>CCN1CC(C)=CC1CNC(C2=CC(S(=O)(CC)=O)=C(N)C=C2OC)=O Amisulpride to Amisulpride metabolite C32,NA
2159,Amisulpride,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC,Phase I,71313372,Amisulpride-N-Oxide,CC[N+]1(CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC>[Phase I]>CC[N+]1(CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC)[O-] Amisulpride to Amisulpride-N-Oxide,NA
2159,Amisulpride,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC,Phase I,169501917,Amisulpride metabolite C31,CCN1C(C=CC1CNC(C2=CC(S(=O)(CC)=O)=C(N)C=C2OC)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC>[Phase I]>CCN1C(C=CC1CNC(C2=CC(S(=O)(CC)=O)=C(N)C=C2OC)=O)=O Amisulpride to Amisulpride metabolite C31,NA
2160,Amitryptiline,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31,Phase II,53461734,Amitryptiline-N-glucuronide,C[N+](CC/C=C1C2=CC=CC=C2CCC3=CC=CC=C3\\1)(C4C(C(C(C(O4)C(O)=O)O)O)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Lee et al., Chem. Biol. Interact., 229, 2015",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31>[Phase II]>C[N+](CC/C=C1C2=CC=CC=C2CCC3=CC=CC=C3\\1)(C4C(C(C(C(O4)C(O)=O)O)O)O)C Amitryptiline to Amitryptiline-N-glucuronide,NA
2160,Amitryptiline,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C32,Phase I,20313,Amitryptiline-N-oxide,C[N+](C)(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C32>[Phase I]>C[N+](C)(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)[O-] Amitryptiline to Amitryptiline-N-oxide,NA
2160,Amitryptiline,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C33,Phase I,160755,Desmethylnortriptyline,C1CC2=CC=CC=C2C(=CCCN)C3=CC=CC=C31,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C33>[Phase I]>C1CC2=CC=CC=C2C(=CCCN)C3=CC=CC=C31 Amitryptiline to Desmethylnortriptyline,NA
2160,Amitryptiline,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C34,Phase I,6454906,E-10-Hydroxyamitriptyline,CN(C)CC/C=C/1\C2=CC=CC=C2CC(C3=CC=CC=C31)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C34>[Phase I]>CN(C)CC/C=C/1\C2=CC=CC=C2CC(C3=CC=CC=C31)O Amitryptiline to E-10-Hydroxyamitriptyline,NA
2160,Amitryptiline,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C35,Phase I + II,169501983,E-10-Hydroxyamitriptyline-glucuronide,CN(C)CC/C=C/1\c2ccccc2CC(c2ccccc12)OC1C(C(C(C(C(=O)O)O1)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C35>[Phase I + II]>CN(C)CC/C=C/1\c2ccccc2CC(c2ccccc12)OC1C(C(C(C(C(=O)O)O1)O)O)O Amitryptiline to E-10-Hydroxyamitriptyline-glucuronide,NA
2160,Amitryptiline,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C36,Phase I,6506716,E-10-Hydroxydesmethylnortriptyline,C1C(C2=CC=CC=C2/C(=C/CCN)/C3=CC=CC=C31)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C36>[Phase I]>C1C(C2=CC=CC=C2/C(=C/CCN)/C3=CC=CC=C31)O Amitryptiline to E-10-Hydroxydesmethylnortriptyline,NA
2160,Amitryptiline,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C37,Phase I + II,169502214,E-10-Hydroxydesmethylnortriptyline-glucuronide,NCC/C=C1C2=CC=CC=C2C(OC3C(O)C(O)C(O)C(C(O)=O)O3)CC4=CC=CC=C/14,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C37>[Phase I + II]>NCC/C=C1C2=CC=CC=C2C(OC3C(O)C(O)C(O)C(C(O)=O)O3)CC4=CC=CC=C/14 Amitryptiline to E-10-Hydroxydesmethylnortriptyline-glucuronide,NA
2160,Amitryptiline,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C38,Phase I,6440567,E-10-Hydroxynortriptyline,CNCC/C=C/1\C2=CC=CC=C2CC(C3=CC=CC=C31)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C38>[Phase I]>CNCC/C=C/1\C2=CC=CC=C2CC(C3=CC=CC=C31)O Amitryptiline to E-10-Hydroxynortriptyline,NA
2160,Amitryptiline,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C39,Phase I + II,169501871,E-10-Hydroxynortriptyline-glucuronide,OC(C(O1)C(O)C(O)C(O)C1OC(C2=CC=CC=C2/3)CC4=CC=CC=C4C3=C/CCNC)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C39>[Phase I + II]>OC(C(O1)C(O)C(O)C(O)C1OC(C2=CC=CC=C2/3)CC4=CC=CC=C4C3=C/CCNC)=O Amitryptiline to E-10-Hydroxynortriptyline-glucuronide,NA
2160,Amitryptiline,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C40,Phase I,4543,Nortriptyline,CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C40>[Phase I]>CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 Amitryptiline to Nortriptyline,NA
2162,Amlodipine,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,Phase I,169501870,"Amlodipine metabolite M3/M5/M8 (hydroxylations at three different positions, not clear where)",CCOC(C1=C(COCCN)NC(C)=C(C(OC)=O)C1C2=CC=CC(O)=C2Cl)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN>[Phase I]>CCOC(C1=C(COCCN)NC(C)=C(C(OC)=O)C1C2=CC=CC(O)=C2Cl)=O Amlodipine to Amlodipine metabolite M3/M5/M8 (hydroxylations at three different positions, not clear where)",NA
2162,Amlodipine,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,Phase I,14271883,Desmethylamolodipine (M6),CCOC(C1=C(COCCN)NC(C)=C(C(O)=O)C1C2=CC=CC=C2Cl)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN>[Phase I]>CCOC(C1=C(COCCN)NC(C)=C(C(O)=O)C1C2=CC=CC=C2Cl)=O Amlodipine to Desmethylamolodipine (M6),NA
2162,Amlodipine,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,Phase I,14271877,Amlodipine metabolite M9,CCOC(C1=C(C2=CC=CC=C2Cl)C(C(OC)=O)=C(C)N=C1COCCN)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN>[Phase I]>CCOC(C1=C(C2=CC=CC=C2Cl)C(C(OC)=O)=C(C)N=C1COCCN)=O Amlodipine to Amlodipine metabolite M9,NA
2162,Amlodipine,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,Phase I,14271885,Amlodipine metabolite M1,CCOC(C1=C(C2=CC=CC=C2Cl)C(C(O)=O)=C(C)N=C1COCCN)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN>[Phase I]>CCOC(C1=C(C2=CC=CC=C2Cl)C(C(O)=O)=C(C)N=C1COCCN)=O Amlodipine to Amlodipine metabolite M1,NA
2162,Amlodipine,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,Phase I,14271893,Amlodipine metabolite M4,OC(C1=C(C2=CC=CC=C2Cl)C(C(OC)=O)=C(C)N=C1CO)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN>[Phase I]>OC(C1=C(C2=CC=CC=C2Cl)C(C(OC)=O)=C(C)N=C1CO)=O Amlodipine to Amlodipine metabolite M4,NA
2162,Amlodipine,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,Phase I,14271878,Amlodipine metabolite M12 (O-Des[2-aminoethyl]-O-carboxymethyl dehydroamlodipine),CCOC(C1=C(C2=CC=CC=C2Cl)C(C(OC)=O)=C(C)N=C1COCC(O)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN>[Phase I]>CCOC(C1=C(C2=CC=CC=C2Cl)C(C(OC)=O)=C(C)N=C1COCC(O)=O)=O Amlodipine to Amlodipine metabolite M12 (O-Des[2-aminoethyl]-O-carboxymethyl dehydroamlodipine),NA
2162,Amlodipine,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,Phase I,169501867,Amlodipine metabolite M10,CCOC(C1=C(C2=CC=CC=C2Cl)C(C(OC)=O)=C(C)N=C1COCCO)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN>[Phase I]>CCOC(C1=C(C2=CC=CC=C2Cl)C(C(OC)=O)=C(C)N=C1COCCO)=O Amlodipine to Amlodipine metabolite M10,NA
33613,Amoxicillin,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C,Phase II,169501824,Amoxicillin metabolite M7,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C>[Phase II]>[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C(O)=O Amoxicillin to Amoxicillin metabolite M7,NA
33613,Amoxicillin,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C,Phase I,169502099,Amoxicillin metabolite M3,[H][C@]12SC(C)(CO)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C>[Phase I]>[H][C@]12SC(C)(CO)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O Amoxicillin to Amoxicillin metabolite M3,NA
33613,Amoxicillin,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C,Phase I,169501969,Amoxicillin metabolite M4,[H][C@]12SC(C)(C=O)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C>[Phase I]>[H][C@]12SC(C)(C=O)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O Amoxicillin to Amoxicillin metabolite M4,NA
33613,Amoxicillin,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C,Phase I,169502003,Amoxicillin metabolite M5,[H][C@]12SC(C)([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C>[Phase I]>[H][C@]12SC(C)([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O)C(O)=O Amoxicillin to Amoxicillin metabolite M5,NA
33613,Amoxicillin,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C,Phase I,156531442,Amoxicillin metabolite M6,[H]C1N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CC=C(O)C=C3)[C@@]2([H])SC1(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C>[Phase I]>[H]C1N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CC=C(O)C=C3)[C@@]2([H])SC1(C)C Amoxicillin to Amoxicillin metabolite M6,NA
33613,Amoxicillin,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C,Phase I,169502187,Amoxicillin metabolite M1,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C(O)=C1)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C>[Phase I]>[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C(O)=C1)C(O)=O Amoxicillin to Amoxicillin metabolite M1,NA
33613,Amoxicillin,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C,Phase I,101941348,Amoxicillin-EP-impurity-E,CC1(C(NC(S1)CNC(=O)C(C2=CC=C(C=C2)O)N)C(=O)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C>[Phase I]>CC1(C(NC(S1)CNC(=O)C(C2=CC=C(C=C2)O)N)C(=O)O)C Amoxicillin to Amoxicillin-EP-impurity-E,NA
33613,Amoxicillin,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C,Phase I,135564758,Amoxicillin-EP-impurity-F,C1=CC(=O)C=CC1=C2C(=O)NC=CN2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C>[Phase I]>C1=CC(=O)C=CC1=C2C(=O)NC=CN2 Amoxicillin to Amoxicillin-EP-impurity-F,NA
33613,Amoxicillin,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C,Phase I,169501975,Amoxicillin metabolite M2,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](C)C1=CC=C(O)C=C1)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C>[Phase I]>[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](C)C1=CC=C(O)C=C1)C(O)=O Amoxicillin to Amoxicillin metabolite M2,NA
10182969,Apixaban,COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N,Phase I,10203943,O-Desmethylapixaban (M2),C1CCN(C(=O)C1)C2=CC=C(C=C2)N3CCC4=C(C3=O)N(N=C4C(=O)N)C5=CC=C(C=C5)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N>[Phase I]>C1CCN(C(=O)C1)C2=CC=C(C=C2)N3CCC4=C(C3=O)N(N=C4C(=O)N)C5=CC=C(C=C5)O Apixaban to O-Desmethylapixaban (M2),NA
10182969,Apixaban,COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N,Phase I + II,91667715,O-Desmethylapixaban-sulfate (M1),C1CCN(C(=O)C1)C2=CC=C(C=C2)N3CCC4=C(C3=O)N(N=C4C(=O)N)C5=CC=C(C=C5)OS(=O)(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N>[Phase I + II]>C1CCN(C(=O)C1)C2=CC=C(C=C2)N3CCC4=C(C3=O)N(N=C4C(=O)N)C5=CC=C(C=C5)OS(=O)(=O)O Apixaban to O-Desmethylapixaban-sulfate (M1),NA
10182969,Apixaban,COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N,Phase I,118753696,Hydroxyapixaban (M7),COC1=CC=C(N2C3=C(C(C(N)=O)=N2)CCN(C4=CC=C(N5CCC(O)CC5=O)C=C4)C3=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Raghavan et al., Drug Metab. Dispos., 37(1), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N>[Phase I]>COC1=CC=C(N2C3=C(C(C(N)=O)=N2)CCN(C4=CC=C(N5CCC(O)CC5=O)C=C4)C3=O)C=C1 Apixaban to Hydroxyapixaban (M7),NA
10182969,Apixaban,COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N,Phase I,151960382,Hydroxyapixaban (M4),COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCC(C5=O)O)C(=N2)C(=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N>[Phase I]>COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCC(C5=O)O)C(=N2)C(=O)N Apixaban to Hydroxyapixaban (M4),NA
10182969,Apixaban,COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N,Phase I + II,169502155,O-Desmethylhydroxyapixaban-sulfate (M10) (hydroxylation at different positions possible),COC1=CC=C(N2C3=C(C(C(N)=O)=N2)CCN(C4=CC=C(N5CCC(OS(=O)(O)=O)CC5=O)C=C4)C3=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Raghavan et al., Drug Metab. Dispos., 37(1), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N>[Phase I + II]>COC1=CC=C(N2C3=C(C(C(N)=O)=N2)CCN(C4=CC=C(N5CCC(OS(=O)(O)=O)CC5=O)C=C4)C3=O)C=C1 Apixaban to O-Desmethylhydroxyapixaban-sulfate (M10) (hydroxylation at different positions possible),NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,91810684,Apremilast metabolite M15,CCOC1=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)C=CC([C@H](NC(C3=C(C(NC(C)=O)=CC=C3)C(O)=O)=O)CS(=O)(C)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hoffmann et al., Xenobiotica, 41(12), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>CCOC1=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)C=CC([C@H](NC(C3=C(C(NC(C)=O)=CC=C3)C(O)=O)=O)CS(=O)(C)=O)=C1 Apremilast to Apremilast metabolite M15,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,57524487,Apremilast metabolite M13,O=S(C[C@@H](N1C(C2=C(C(NC(C)=O)=CC=C2)C1=O)=O)C3=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)=C(OC)C=C3)(C)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hoffmann et al., Xenobiotica, 41(12), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>O=S(C[C@@H](N1C(C2=C(C(NC(C)=O)=CC=C2)C1=O)=O)C3=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)=C(OC)C=C3)(C)=O Apremilast to Apremilast metabolite M13,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I + II,169502069,Apremilast metabolite M16,CCOC1=C(OC)C=CC([C@H](N2C(C3=C(C(NC(COC4C(O)C(O)C(O)C(C(O)=O)O4)=O)=CC=C3)C2=O)=O)CS(=O)(C)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I + II]>CCOC1=C(OC)C=CC([C@H](N2C(C3=C(C(NC(COC4C(O)C(O)C(O)C(C(O)=O)O4)=O)=CC=C3)C2=O)=O)CS(=O)(C)=O)=C1 Apremilast to Apremilast metabolite M16,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,169502179,Apremilast metabolite M14,CCOC1=C(OC2OC(C(O)=O)C(O)C(O)C2O)C=CC([C@H](N3C(C4=C(C(N)=CC=C4)C3=O)=O)CS(=O)(C)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>CCOC1=C(OC2OC(C(O)=O)C(O)C(O)C2O)C=CC([C@H](N3C(C4=C(C(N)=CC=C4)C3=O)=O)CS(=O)(C)=O)=C1 Apremilast to Apremilast metabolite M14,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I + II,57524484,O-Desmethylapremilast-glucuronide (M12),CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I + II]>CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O Apremilast to O-Desmethylapremilast-glucuronide (M12),NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,57524407,Apremilast metabolite M21,OC1=C(O)C=CC([C@H](N2C(C3=C(C(NC(CO)=O)=CC=C3)C2=O)=O)CS(=O)(C)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hoffmann et al., Xenobiotica, 41(12), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>OC1=C(O)C=CC([C@H](N2C(C3=C(C(NC(CO)=O)=CC=C3)C2=O)=O)CS(=O)(C)=O)=C1 Apremilast to Apremilast metabolite M21,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,91810656,Apremilast metabolite M23,O=C(O)C1=C(C(NC(CO)=O)=CC=C1)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hoffmann et al., Xenobiotica, 41(12), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>O=C(O)C1=C(C(NC(CO)=O)=CC=C1)C(O)=O Apremilast to Apremilast metabolite M23,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,57524408,Apremilast metabolite M10,CCOC1=C(O)C=CC([C@H](N2C(C3=C(C(NC(CO)=O)=CC=C3)C2=O)=O)CS(=O)(C)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hoffmann et al., Xenobiotica, 41(12), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>CCOC1=C(O)C=CC([C@H](N2C(C3=C(C(NC(CO)=O)=CC=C3)C2=O)=O)CS(=O)(C)=O)=C1 Apremilast to Apremilast metabolite M10,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,169502036,Apremilast metabolite M22,OC1=C(OC)C=CC([C@H](NC(C2=C(C(NC(C)=O)=CC=C2)C(O)=O)=O)CS(=O)(C)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hoffmann et al., Xenobiotica, 41(12), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>OC1=C(OC)C=CC([C@H](NC(C2=C(C(NC(C)=O)=CC=C2)C(O)=O)=O)CS(=O)(C)=O)=C1 Apremilast to Apremilast metabolite M22,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,54764856,Apremilast metabolite M17,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CO)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CO)OC Apremilast to Apremilast metabolite M17,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,57524406,Apremilast metabolite M20,OC1=C(O)C=CC([C@H](N2C(C3=C(C(N)=CC=C3)C2=O)=O)CS(=O)(C)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hoffmann et al., Xenobiotica, 41(12), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>OC1=C(O)C=CC([C@H](N2C(C3=C(C(N)=CC=C3)C2=O)=O)CS(=O)(C)=O)=C1 Apremilast to Apremilast metabolite M20,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,57524485,Apremilast metabolite M19,OC1=C(O)C=CC([C@H](N2C(C3=C(C(NC(C)=O)=CC=C3)C2=O)=O)CS(=O)(C)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hoffmann et al., Xenobiotica, 41(12), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>OC1=C(O)C=CC([C@H](N2C(C3=C(C(NC(C)=O)=CC=C3)C2=O)=O)CS(=O)(C)=O)=C1 Apremilast to Apremilast metabolite M19,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,169502223,Apremilast metabolite M8,CCOC1=C(O)C=CC([C@H](N2C(C3=C(C(N)=CC(O)=C3)C2=O)=O)CS(=O)(C)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hoffmann et al., Xenobiotica, 41(12), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>CCOC1=C(O)C=CC([C@H](N2C(C3=C(C(N)=CC(O)=C3)C2=O)=O)CS(=O)(C)=O)=C1 Apremilast to Apremilast metabolite M8,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,84885,Apremilast metabolite M18,O=C(O)C1=C(C(NC(C)=O)=CC=C1)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hoffmann et al., Xenobiotica, 41(12), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>O=C(O)C1=C(C(NC(C)=O)=CC=C1)C(O)=O Apremilast to Apremilast metabolite M18,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,57524486,Apremilast metabolite M5,OC1=C(OC)C=CC([C@H](N2C(C3=C(C(NC(C)=O)=CC=C3)C2=O)=O)CS(=O)(C)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hoffmann et al., Xenobiotica, 41(12), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>OC1=C(OC)C=CC([C@H](N2C(C3=C(C(NC(C)=O)=CC=C3)C2=O)=O)CS(=O)(C)=O)=C1 Apremilast to Apremilast metabolite M5,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,91810683,Apremilast metabolite M9,CCOC1=C(O)C=CC([C@H](NC(C2=C(C(NC(C)=O)=CC=C2)C(O)=O)=O)CS(=O)(C)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hoffmann et al., Xenobiotica, 41(12), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>CCOC1=C(O)C=CC([C@H](NC(C2=C(C(NC(C)=O)=CC=C2)C(O)=O)=O)CS(=O)(C)=O)=C1 Apremilast to Apremilast metabolite M9,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,169502013,Apremilast metabolite M11 (hydroxylation at different ring positions possible),CCOC1=C(OC)C=CC([C@H](N2C(C3=C(C(N)=CC(O)=C3)C2=O)=O)CS(=O)(C)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hoffmann et al., Xenobiotica, 41(12), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>CCOC1=C(OC)C=CC([C@H](N2C(C3=C(C(N)=CC(O)=C3)C2=O)=O)CS(=O)(C)=O)=C1 Apremilast to Apremilast metabolite M11 (hydroxylation at different ring positions possible),NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,125318289,Apremilast metabolite M1/M2,CCOC1=C(OC)C=CC([C@H](NC(C2=C(C(NC(C)=O)=CC=C2)C(O)=O)=O)CS(=O)(C)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hoffmann et al., Xenobiotica, 41(12), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>CCOC1=C(OC)C=CC([C@H](NC(C2=C(C(NC(C)=O)=CC=C2)C(O)=O)=O)CS(=O)(C)=O)=C1 Apremilast to Apremilast metabolite M1/M2,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,57524404,Apremilast metabolite M4,CCOC1=C(O)C=CC([C@H](N2C(C3=C(C(N)=CC=C3)C2=O)=O)CS(=O)(C)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hoffmann et al., Xenobiotica, 41(12), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>CCOC1=C(O)C=CC([C@H](N2C(C3=C(C(N)=CC=C3)C2=O)=O)CS(=O)(C)=O)=C1 Apremilast to Apremilast metabolite M4,NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,68088610,O-Desmethylapremilast (M3),CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)O Apremilast to O-Desmethylapremilast (M3),NA
11561674,Apremilast,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,Phase I,66718706,N-Desacetylapremilast (M7),CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)N)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC>[Phase I]>CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)N)OC Apremilast to N-Desacetylapremilast (M7),NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,118753185,Atazanavir metabolite M16,CC(C)([C@H](NC(OC)=O)C(N[C@H]([C@@H](O)CNN)CC1=CC=CC=C1)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>CC(C)([C@H](NC(OC)=O)C(N[C@H]([C@@H](O)CNN)CC1=CC=CC=C1)=O)C Atazanavir to Atazanavir metabolite M16,NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,118753152,Atazanavir metabolite M14,CC(C)([C@H](NC(OC)=O)C(N[C@H]([C@@H](O)CN(NC([C@@H](N)C(C)(C)C)=O)CC1=CC=C(C2=CC=CC=N2)C=C1)CC3=CC=CC=C3)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>CC(C)([C@H](NC(OC)=O)C(N[C@H]([C@@H](O)CN(NC([C@@H](N)C(C)(C)C)=O)CC1=CC=C(C2=CC=CC=N2)C=C1)CC3=CC=CC=C3)=O)C Atazanavir to Atazanavir metabolite M14,NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,118753151,Atazanavir metabolite M13,CC(C)([C@H](N)C(N[C@H]([C@@H](O)CN(NC([C@@H](NC(OC)=O)C(C)(C)C)=O)CC1=CC=C(C2=CC=CC=N2)C=C1)CC3=CC=CC=C3)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>CC(C)([C@H](N)C(N[C@H]([C@@H](O)CN(NC([C@@H](NC(OC)=O)C(C)(C)C)=O)CC1=CC=C(C2=CC=CC=N2)C=C1)CC3=CC=CC=C3)=O)C Atazanavir to Atazanavir metabolite M13,NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,118753114,Atazanavir metabolite M8,CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC([C@H](C(C)(CO)C)NC(OC)=O)=O)O)=O)NC(OC)=O)(CO)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC([C@H](C(C)(CO)C)NC(OC)=O)=O)O)=O)NC(OC)=O)(CO)C Atazanavir to Atazanavir metabolite M8,NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,118753150,Atazanavir metabolite M10,CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC([C@H](C(C)(C)C)NC(OC)=O)=O)O)=O)NC(OC)=O)(CO)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC([C@H](C(C)(C)C)NC(OC)=O)=O)O)=O)NC(OC)=O)(CO)CO Atazanavir to Atazanavir metabolite M10,NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I + II,169502020,Hydroxyatazanavir-glucuronide (glucuronodation at different positions possible),CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC(O[C@H]4[C@@H]([C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)O)=CC=N3)NC([C@H](C(C)(C)C)NC(OC)=O)=O)O)=O)NC(OC)=O)(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I + II]>CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC(O[C@H]4[C@@H]([C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)O)=CC=N3)NC([C@H](C(C)(C)C)NC(OC)=O)=O)O)=O)NC(OC)=O)(C)C Atazanavir to Hydroxyatazanavir-glucuronide (glucuronodation at different positions possible),NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,91799105,Des(benzylpyridyl)atazanavir (M1),CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CNNC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CNNC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC Atazanavir to Des(benzylpyridyl)atazanavir (M1),NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,169501982,Atazanavir metabolite M11,CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)/C(O)=C/N(CC2=CC=C(C=C2)C3=CC=CC=N3)NC([C@H](C(C)(C)C)NC(OC)=O)=O)=O)NC(OC)=O)(CO)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)/C(O)=C/N(CC2=CC=C(C=C2)C3=CC=CC=N3)NC([C@H](C(C)(C)C)NC(OC)=O)=O)=O)NC(OC)=O)(CO)CO Atazanavir to Atazanavir metabolite M11,NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,169502105,Atazanavir metabolite M9,CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)/C(O)=C/N(CC2=CC=C(C=C2)C3=CC=CC=N3)NC([C@H](C(C)(CO)C)NC(OC)=O)=O)=O)NC(OC)=O)(CO)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)/C(O)=C/N(CC2=CC=C(C=C2)C3=CC=CC=N3)NC([C@H](C(C)(CO)C)NC(OC)=O)=O)=O)NC(OC)=O)(CO)C Atazanavir to Atazanavir metabolite M9,NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase II,169502001,Atazanavir-glucuronide,CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)C(O[C@H]2[C@@H]([C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)O)CN(CC3=CC=C(C=C3)C4=CC=CC=N4)NC([C@H](C(C)(C)C)NC(OC)=O)=O)=O)NC(OC)=O)(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase II]>CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)C(O[C@H]2[C@@H]([C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)O)CN(CC3=CC=C(C=C3)C4=CC=CC=N4)NC([C@H](C(C)(C)C)NC(OC)=O)=O)=O)NC(OC)=O)(C)C Atazanavir to Atazanavir-glucuronide,NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,11653592,Atazanavir metabolite M15,O=C([C@@H](NC(OC)=O)C(C)(C)C)NNCC1=CC=C(C2=CC=CC=N2)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>O=C([C@@H](NC(OC)=O)C(C)(C)C)NNCC1=CC=C(C2=CC=CC=N2)C=C1 Atazanavir to Atazanavir metabolite M15,NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,71474000,Atazanavir metabolite M2,CC(C)([C@H](NC(OC)=O)C(N[C@H]([C@@H](O)CN(NC([C@@H](NC(OC)=O)C(C)(C)C)=O)CC1=CC=C(C2=CC=CC=N2)C=C1)CC3=CC=CC=C3)=O)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>CC(C)([C@H](NC(OC)=O)C(N[C@H]([C@@H](O)CN(NC([C@@H](NC(OC)=O)C(C)(C)C)=O)CC1=CC=C(C2=CC=CC=N2)C=C1)CC3=CC=CC=C3)=O)CO Atazanavir to Atazanavir metabolite M2,NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,169502275,Atazanavir metabolite M6,CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)/C(O)=C/N(CC2=CC=C(C=C2)C3=CC=CC=N3)NC([C@H](C(C)(C)C)NC(OC)=O)=O)=O)NC(OC)=O)(CO)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)/C(O)=C/N(CC2=CC=C(C=C2)C3=CC=CC=N3)NC([C@H](C(C)(C)C)NC(OC)=O)=O)=O)NC(OC)=O)(CO)C Atazanavir to Atazanavir metabolite M6,NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,169502088,Atazanavir metabolite M12,CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(/C(C(C)(C)C)=N/C(OC)=O)=O)O)=O)NC(OC)=O)(CO)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(/C(C(C)(C)C)=N/C(OC)=O)=O)O)=O)NC(OC)=O)(CO)C Atazanavir to Atazanavir metabolite M12,NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,169502088,Atazanavir metabolite M7,CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(/C(C(C)(C)C)=N/C(OC)=O)=O)O)=O)NC(OC)=O)(CO)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>CC([C@@H](C(N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(/C(C(C)(C)C)=N/C(OC)=O)=O)O)=O)NC(OC)=O)(CO)C Atazanavir to Atazanavir metabolite M7,NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,169501922,Atazanavir metabolite M3,CC(C)([C@H](NC(OC)=O)C(N[C@H]([C@@H](O)CN(NC([C@@H](NC(OC)=O)C(C)(C)C)=O)CC1=CC=C(C2=CC=CC=N2)C=C1)CC3=CC=C(O)C=C3)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>CC(C)([C@H](NC(OC)=O)C(N[C@H]([C@@H](O)CN(NC([C@@H](NC(OC)=O)C(C)(C)C)=O)CC1=CC=C(C2=CC=CC=N2)C=C1)CC3=CC=C(O)C=C3)=O)C Atazanavir to Atazanavir metabolite M3,NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,169502128,Atazanavir metabolite M5,CC(C)([C@H](NC(OC)=O)C(N[C@H]([C@@H](O)CN(NC([C@@H](NC(OC)=O)C(C)(C)C)=O)CC1=CC=C(C2=CC=CC=N2)C=C1O)CC3=CC=CC=C3)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>CC(C)([C@H](NC(OC)=O)C(N[C@H]([C@@H](O)CN(NC([C@@H](NC(OC)=O)C(C)(C)C)=O)CC1=CC=C(C2=CC=CC=N2)C=C1O)CC3=CC=CC=C3)=O)C Atazanavir to Atazanavir metabolite M5,NA
148192,Atazanavir,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,Phase I,169501937,Atazanavir metabolite M4,CC(C)([C@H](NC(OC)=O)C(N[C@H]([C@@H](O)CN(NC([C@@H](NC(OC)=O)C(C)(C)C)=O)CC1=CC=C(C2=CC(O)=CC=N2)C=C1)CC3=CC=CC=C3)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC>[Phase I]>CC(C)([C@H](NC(OC)=O)C(N[C@H]([C@@H](O)CN(NC([C@@H](NC(OC)=O)C(C)(C)C)=O)CC1=CC=C(C2=CC(O)=CC=N2)C=C1)CC3=CC=CC=C3)=O)C Atazanavir to Atazanavir metabolite M4,NA
2249,Atenolol,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O,Phase I,42396,Prenalterol,CC(C)NC[C@@H](COC1=CC=C(C=C1)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O>[Phase I]>CC(C)NC[C@@H](COC1=CC=C(C=C1)O)O Atenolol to Prenalterol,NA
2249,Atenolol,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O,Phase I,62936,Atenolol acid,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O>[Phase I]>CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O Atenolol to Atenolol acid,NA
2249,Atenolol,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O,Phase I,14211540,Atenolol-desisopropyl,C1=CC(=CC=C1CC(=O)N)OCC(CN)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O>[Phase I]>C1=CC(=CC=C1CC(=O)N)OCC(CN)O Atenolol to Atenolol-desisopropyl,NA
2249,Atenolol,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O,Phase I,53855778,Hydroxyatenolol,CC(C)NCC(COC1=CC=C(C=C1)C(C(=O)N)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O>[Phase I]>CC(C)NCC(COC1=CC=C(C=C1)C(C(=O)N)O)O Atenolol to Hydroxyatenolol,NA
2249,Atenolol,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O,Phase II,169502143,Atenolol-glucuronide,CC(C)NCC(COC1=CC=C(CC(N)=O)C=C1)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O>[Phase II]>CC(C)NCC(COC1=CC=C(CC(N)=O)C=C1)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O Atenolol to Atenolol-glucuronide,NA
60823,Atorvastatin,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4,Phase I,3364534,ortho-Hydroxyatorvastatin,CC(C)C1=C(C(O)=NC2=CC=CC=C2O)C(=C(N1CCC(O)CC(O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4>[Phase I]>CC(C)C1=C(C(O)=NC2=CC=CC=C2O)C(=C(N1CCC(O)CC(O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 Atorvastatin to ortho-Hydroxyatorvastatin,NA
60823,Atorvastatin,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4,Phase I,3364535,para-Hydroxyatorvastatin,CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4>[Phase I]>CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)O Atorvastatin to para-Hydroxyatorvastatin,NA
60823,Atorvastatin,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4,Phase I,6483036,Atorvastatin lactone,CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4>[Phase I]>CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5 Atorvastatin to Atorvastatin lactone,NA
60823,Atorvastatin,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4,Phase I,9937602,para-Hydroxyatorvastatin lactone,CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4>[Phase I]>CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)O Atorvastatin to para-Hydroxyatorvastatin lactone,NA
60823,Atorvastatin,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4,Phase I,10650434,ortho-Hydroxyatorvastatin lactone,CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4>[Phase I]>CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5O Atorvastatin to ortho-Hydroxyatorvastatin lactone,NA
60823,Atorvastatin,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4,Phase I + II,57370076,para-Hydroxyatorvastatin-glucuronide,C1=C(C=CC(=C1)NC(C2=C(C(C)C)[N](C(=C2C3=CC=CC=C3)C4=CC=C(C=C4)F)CC[C@H](C[C@H](CC(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)=O)O)O)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4>[Phase I + II]>C1=C(C=CC(=C1)NC(C2=C(C(C)C)[N](C(=C2C3=CC=CC=C3)C4=CC=C(C=C4)F)CC[C@H](C[C@H](CC(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)=O)O)O)=O)O Atorvastatin to para-Hydroxyatorvastatin-glucuronide,NA
60823,Atorvastatin,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4,Phase I + II,169502174,ortho-Hydroxyatorvastatin-glucuronide,CC(C)C1=C(C(O)=NC2=CC=CC=C2O)C(=C(N1CCC(O)CC(O)CC(O)OC1OC(C(O)C(O)C1O)C(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4>[Phase I + II]>CC(C)C1=C(C(O)=NC2=CC=CC=C2O)C(=C(N1CCC(O)CC(O)CC(O)OC1OC(C(O)C(O)C1O)C(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 Atorvastatin to ortho-Hydroxyatorvastatin-glucuronide,NA
2265,Azathioprine,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],Phase II,3036942,6-Thioinosine-triphosphate,C1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]>[Phase II]>C1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O Azathioprine to 6-Thioinosine-triphosphate,NA
2265,Azathioprine,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],Phase II,54405053,6-Methylthioinosine-triphosphate,CSC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]>[Phase II]>CSC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O Azathioprine to 6-Methylthioinosine-triphosphate,NA
2265,Azathioprine,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],Phase II,169501954,6-Thioguanine-monophosphate,NC1=NC2=C(N=CN2[C@@H]2O[C@H](C(O)P(O)(O)=O)C(O)C2O)C(S)=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]>[Phase II]>NC1=NC2=C(N=CN2[C@@H]2O[C@H](C(O)P(O)(O)=O)C(O)C2O)C(S)=N1 Azathioprine to 6-Thioguanine-monophosphate,NA
2265,Azathioprine,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],Phase II,137250051,Thioguanine-diphosphate,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)S)N=C(NC2=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]>[Phase II]>C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)S)N=C(NC2=O)N Azathioprine to Thioguanine-diphosphate,NA
2265,Azathioprine,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],Phase I,131769952,6-Thioxanthylic acid,OC([C@H]1O[C@H](C(O)C1O)N1C=NC2=C1N=C(O)N=C2S)P(O)(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]>[Phase I]>OC([C@H]1O[C@H](C(O)C1O)N1C=NC2=C1N=C(O)N=C2S)P(O)(O)=O Azathioprine to 6-Thioxanthylic acid,NA
2265,Azathioprine,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],Phase II,3081384,6-Thiosine-5'-monophosphate,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=S,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]>[Phase II]>C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=S Azathioprine to 6-Thiosine-5'-monophosphate,NA
2265,Azathioprine,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],Phase II,169501782,6-Methylthiosine-5'-monophosphate,CSC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]>[Phase II]>CSC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Azathioprine to 6-Methylthiosine-5'-monophosphate,NA
2265,Azathioprine,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],Phase I,3032417,6-Thiouric acid,C12=C(NC(=O)N1)NC(=O)NC2=S,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]>[Phase I]>C12=C(NC(=O)N1)NC(=O)NC2=S Azathioprine to 6-Thiouric acid,NA
2265,Azathioprine,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],Phase I,667490,6-Mercaptopurine,C1=NC2=C(N1)C(=S)N=CN2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]>[Phase I]>C1=NC2=C(N1)C(=S)N=CN2 Azathioprine to 6-Mercaptopurine,NA
2265,Azathioprine,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],Phase II,129858543,Thioguanine-triphosphate,C12=C3N=C4N1OP(=O)(O4)ON5C(=NC2=O)N3S678(OP(=O)(O5)O6)OP(=O)(O7)O8,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]>[Phase II]>C12=C3N=C4N1OP(=O)(O4)ON5C(=NC2=O)N3S678(OP(=O)(O5)O6)OP(=O)(O7)O8 Azathioprine to Thioguanine-triphosphate,NA
2265,Azathioprine,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],Phase I,5778,6-Methylmercaptopurine,CSC1=NC=NC2=C1NC=N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]>[Phase I]>CSC1=NC=NC2=C1NC=N2 Azathioprine to 6-Methylmercaptopurine,NA
135409642,Azilsartan Medoxomil,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OCC6=C(OC(=O)O6)C,Phase I,101102054,Azilsartan M-I metabolite,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=N)N)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OCC6=C(OC(=O)O6)C>[Phase I]>CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=N)N)C(=O)O Azilsartan Medoxomil to Azilsartan M-I metabolite,NA
135409642,Azilsartan Medoxomil,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OCC6=C(OC(=O)O6)C,Phase I,135742018,O-Desethylazilsartan (M-II),C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C4=C(C=CC=C4NC3=O)C(=O)O)C5=NOC(=O)N5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OCC6=C(OC(=O)O6)C>[Phase I]>C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C4=C(C=CC=C4NC3=O)C(=O)O)C5=NOC(=O)N5 Azilsartan Medoxomil to O-Desethylazilsartan (M-II),NA
135409642,Azilsartan Medoxomil,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OCC6=C(OC(=O)O6)C,Phase I,135415867,Azilsartan,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OCC6=C(OC(=O)O6)C>[Phase I]>CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O Azilsartan Medoxomil to Azilsartan,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,59037908,9a-N-Desmethyl-decladinoseazithromycin,CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)NC[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@@H](C)[C@H](O)[C@@H](C)C(O1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)NC[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@@H](C)[C@H](O)[C@@H](C)C(O1)=O Azithromycin to 9a-N-Desmethyl-decladinoseazithromycin,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,67411885,3'-N-Desmethyldescladinose,CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](NC)C[C@@H](C)O2)[C@@H](C)[C@H](O)[C@@H](C)C(O1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](NC)C[C@@H](C)O2)[C@@H](C)[C@H](O)[C@@H](C)C(O1)=O Azithromycin to 3'-N-Desmethyldescladinose,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,67411885,Descladinose-6-N-desmethylazithromycin,CC[C@@H]1[C@@](O)([C@@H]([C@H](N(C)C[C@@H](C[C@@](O)([C@@H]([C@H]([C@@H]([C@H](C(O1)=O)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)NC)O)C)C)C)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@](O)([C@@H]([C@H](N(C)C[C@@H](C[C@@](O)([C@@H]([C@H]([C@@H]([C@H](C(O1)=O)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)NC)O)C)C)C)O)C Azithromycin to Descladinose-6-N-desmethylazithromycin,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,9851445,Desosaminylazithromycin,CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@@H](C)[C@H](O)[C@@H](C)C(O1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@@H](C)[C@H](O)[C@@H](C)C(O1)=O Azithromycin to Desosaminylazithromycin,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,169501990,3'-N-Desmethyl-3''-O-desmethylazithromycin,CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](NC)C[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H](C)C(O1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](NC)C[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H](C)C(O1)=O Azithromycin to 3'-N-Desmethyl-3''-O-desmethylazithromycin,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,169501913,Hydroxydesosamine azithromycin,CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C(O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(O1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C(O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(O1)=O Azithromycin to Hydroxydesosamine azithromycin,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,44421010,3''-O-Desmethylazithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O Azithromycin to 3''-O-Desmethylazithromycin,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,169501830,Hydroxyazalide azithromycin,CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C(O)[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(O1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C(O)[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(O1)=O Azithromycin to Hydroxyazalide azithromycin,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,59659945,"N',N'-Di(desmethyl)azithromycin",CC[C@@H]1[C@@](O)([C@@H]([C@H](N(C[C@@H](C[C@@](O)([C@@H]([C@H]([C@@H]([C@H](C(O1)=O)C)O[C@H]2C[C@@](OC)([C@H]([C@@H](O2)C)O)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N)O)C)C)C)C)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@](O)([C@@H]([C@H](N(C[C@@H](C[C@@](O)([C@@H]([C@H]([C@@H]([C@H](C(O1)=O)C)O[C@H]2C[C@@](OC)([C@H]([C@@H](O2)C)O)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N)O)C)C)C)C)O)C Azithromycin to N',N'-Di(desmethyl)azithromycin",NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,59668004,3'-N-Desmethyl-9a-N-desmethylazithromycin,CC[C@@H]1[C@@](O)([C@@H]([C@H](NC[C@@H](C[C@@](O)([C@@H]([C@H]([C@@H]([C@H](C(O1)=O)C)O[C@H]2C[C@@](OC)([C@H]([C@@H](O2)C)O)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)C)C)C)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@](O)([C@@H]([C@H](NC[C@@H](C[C@@](O)([C@@H]([C@H]([C@@H]([C@H](C(O1)=O)C)O[C@H]2C[C@@](OC)([C@H]([C@@H](O2)C)O)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)C)C)C)O)C Azithromycin to 3'-N-Desmethyl-9a-N-desmethylazithromycin,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,9810601,9a-N-Desmethylazithromycin/Azathramycin,CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)NC[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(O1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)NC[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(O1)=O Azithromycin to 9a-N-Desmethylazithromycin/Azathramycin,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,9987533,3'-N-Desmethylazithromycin,CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](NC)C[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(O1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@H](O[C@H]2[C@H](O)[C@@H](NC)C[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(O1)=O Azithromycin to 3'-N-Desmethylazithromycin,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,169502106,Descladinose-dehydroxy-2-ene-azithromycin,CC[C@@H]1[C@](C)([C@@H]([C@@H](C)N(C)C[C@H](C)C[C@](C)([C@@H]([C@@H](C)/C=C(/C)\C(=O)O1)O[C@H]1[C@@H]([C@H](C[C@@H](C)O1)N(C)C)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@](C)([C@@H]([C@@H](C)N(C)C[C@H](C)C[C@](C)([C@@H]([C@@H](C)/C=C(/C)\C(=O)O1)O[C@H]1[C@@H]([C@H](C[C@@H](C)O1)N(C)C)O)O)O)O Azithromycin to Descladinose-dehydroxy-2-ene-azithromycin,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,59787831,Azithromycin-N-oxide,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[N+](C)(C)[O-])O)(C)O)C)C)C)O)(C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[N+](C)(C)[O-])O)(C)O)C)C)C)O)(C)O Azithromycin to Azithromycin-N-oxide,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,10370209,3'-Desamine-3-ene-decladinoseazithromycin,CC[C@@H]1[C@@](O)([C@@H]([C@H](N(C[C@@H](C[C@@](O)([C@@H]([C@H]([C@@H]([C@H](C(O1)=O)C)O)C)O[C@H]2[C@@H](C=C[C@H](O2)C)O)C)C)C)C)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@](O)([C@@H]([C@H](N(C[C@@H](C[C@@](O)([C@@H]([C@H]([C@@H]([C@H](C(O1)=O)C)O)C)O[C@H]2[C@@H](C=C[C@H](O2)C)O)C)C)C)C)O)C Azithromycin to 3'-Desamine-3-ene-decladinoseazithromycin,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,169502163,3'-N-Nitroso-9a-N-desmethylazithromycin,CC[C@@H]1[C@@](O)([C@@H]([C@H](NC[C@@H](C[C@@](O)([C@@H]([C@H]([C@@H]([C@H](C(O1)=O)C)O[C@H]2C[C@@](OC)([C@H]([C@@H](O2)C)O)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N=O)O)C)C)C)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@](O)([C@@H]([C@H](NC[C@@H](C[C@@](O)([C@@H]([C@H]([C@@H]([C@H](C(O1)=O)C)O[C@H]2C[C@@](OC)([C@H]([C@@H](O2)C)O)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N=O)O)C)C)C)O)C Azithromycin to 3'-N-Nitroso-9a-N-desmethylazithromycin,NA
447043,Azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,Phase I,9918147,3'-Desamine-3-enen-azithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H](C=C[C@H](O3)C)O)(C)O)C)C)C)O)(C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H](C=C[C@H](O3)C)O)(C)O)C)C)C)O)(C)O Azithromycin to 3'-Desamine-3-enen-azithromycin,NA
2327,Benserazide,C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O,Phase I,188973,Trihydroxybenzylhydrazine,C1=CC(=C(C(=C1CNN)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O>[Phase I]>C1=CC(=C(C(=C1CNN)O)O)O Benserazide to Trihydroxybenzylhydrazine,NA
2366,Betahistine,CNCCC1=CC=CC=N1,Phase I,85318,2-Pyridylacetic acid,C1=CC=NC(=C1)CC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CNCCC1=CC=CC=N1>[Phase I]>C1=CC=NC(=C1)CC(=O)O Betahistine to 2-Pyridylacetic acid,NA
39042,Bezafibrate,CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,1235725,3-[(4-Chlorobenzoyl)amino]propanoic acid,C1=CC(=CC=C1C(=O)NCCC(=O)O)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>C1=CC(=CC=C1C(=O)NCCC(=O)O)Cl Bezafibrate to 3-[(4-Chlorobenzoyl)amino]propanoic acid,NA
39042,Bezafibrate,CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,154731480,Hydroxybezafibrate,CC(C)(C(=O)O)OC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)Cl)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>CC(C)(C(=O)O)OC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)Cl)O Bezafibrate to Hydroxybezafibrate,NA
39042,Bezafibrate,CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl,Phase II,154731500,Bezafibrate-acyl-glucuronide,CC(C)(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](C1O)C(=O)O)O)O)O)OC2=CC=C(C=C2)CCNC(=O)C3=CC=C(C=C3)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl>[Phase II]>CC(C)(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](C1O)C(=O)O)O)O)O)OC2=CC=C(C=C2)CCNC(=O)C3=CC=C(C=C3)Cl Bezafibrate to Bezafibrate-acyl-glucuronide,NA
185460,Bilastine,CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)O,Phase I,69130321,Desethylbilastine,CC(C)(C1=CC=C(C=C1)CCN2CCC(CC2)C3=NC4=CC=CC=C4N3CCO)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Lucero et al.,  Drug Chem. Toxicol., 35, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)O>[Phase I]>CC(C)(C1=CC=C(C=C1)CCN2CCC(CC2)C3=NC4=CC=CC=C4N3CCO)C(=O)O Bilastine to Desethylbilastine,NA
185460,Bilastine,CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)O,Phase I,169501881,Hydroxybilastine,CC(C1=CC=C(CC(O)N2CCC(C3=NC4=CC=CC=C4N3CCOC)CC2)C=C1)(C(O)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Lucero et al.,  Drug Chem. Toxicol., 35, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)O>[Phase I]>CC(C1=CC=C(CC(O)N2CCC(C3=NC4=CC=CC=C4N3CCOC)CC2)C=C1)(C(O)=O)C Bilastine to Hydroxybilastine,NA
185460,Bilastine,CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)O,Phase I + II,169501889,Hydroxybilastine-glucuronide,CC(C1=CC=C(CC(OC2C(O)C(O)C(O)C(C(O)=O)O2)N3CCC(C4=NC5=CC=CC=C5N4CCOC)CC3)C=C1)(C(O)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Lucero et al.,  Drug Chem. Toxicol., 35, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)O>[Phase I + II]>CC(C1=CC=C(CC(OC2C(O)C(O)C(O)C(C(O)=O)O2)N3CCC(C4=NC5=CC=CC=C5N4CCOC)CC3)C=C1)(C(O)=O)C Bilastine to Hydroxybilastine-glucuronide,NA
185460,Bilastine,CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)O,Phase I + II,169501959,Bilastine metabolite-glucuronide,CCOCCN1C2=CC=CC=C2N=C1C3CCN(C4C(O)C(O)C(O)C(C(O)=O)O4)CC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Lucero et al.,  Drug Chem. Toxicol., 35, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)O>[Phase I + II]>CCOCCN1C2=CC=CC=C2N=C1C3CCN(C4C(O)C(O)C(O)C(C(O)=O)O4)CC3 Bilastine to Bilastine metabolite-glucuronide,NA
185460,Bilastine,CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)O,Phase II,169502027,Bilastine-glucuronide,CCOCCN1C2=CC=CC=C2N=C1C3CCN(CCC4=CC=C(C(C)(C(OC5OC(C(O)=O)C(O)C(O)C5O)=O)C)C=C4)CC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Lucero et al.,  Drug Chem. Toxicol., 35, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)O>[Phase II]>CCOCCN1C2=CC=CC=C2N=C1C3CCN(CCC4=CC=C(C(C)(C(OC5OC(C(O)=O)C(O)C(O)C5O)=O)C)C=C4)CC3 Bilastine to Bilastine-glucuronide,NA
2391,Bisacodyl,CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3,Phase I,69046,Bis-(p-hydroxyphenyl)-pyridyl-2-methane (BHPM),C1=CC=NC(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3>[Phase I]>C1=CC=NC(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O Bisacodyl to Bis-(p-hydroxyphenyl)-pyridyl-2-methane (BHPM),NA
2391,Bisacodyl,CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3,Phase I,69046,Desacetylbisacodyl,C1=CC=NC(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Sund et al., Acta Pharmacologica et Toxicologica, 1982",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3>[Phase I]>C1=CC=NC(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O Bisacodyl to Desacetylbisacodyl,NA
2391,Bisacodyl,CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3,Phase I + II,92024362,Bis-(p-hydroxyphenyl)-pyridyl-2-methane-glucuronide,OC(C=C1)=CC=C1C(C2=CC=C(OC3OC(C(O)=O)C(O)C(O)C3O)C=C2)C4=CC=CC=N4,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3>[Phase I + II]>OC(C=C1)=CC=C1C(C2=CC=C(OC3OC(C(O)=O)C(O)C(O)C3O)C=C2)C4=CC=CC=N4 Bisacodyl to Bis-(p-hydroxyphenyl)-pyridyl-2-methane-glucuronide,NA
2391,Bisacodyl,CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3,Phase I + II,169502141,Bis-(p-hydroxyphenyl)-pyridyl-2-methane-diglucuronide,OC(C(C(C(C1O)O)O)OC1OC(C=C2)=CC=C2C(C3=CC=CC=N3)C4=CC=C(C=C4)OC5OC(C(O)=O)C(O)C(O)C5O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3>[Phase I + II]>OC(C(C(C(C1O)O)O)OC1OC(C=C2)=CC=C2C(C3=CC=CC=N3)C4=CC=C(C=C4)OC5OC(C(O)=O)C(O)C(O)C5O)=O Bisacodyl to Bis-(p-hydroxyphenyl)-pyridyl-2-methane-diglucuronide,NA
2405,Bisoprolol,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O,Phase I,53644335,Bisoprolol metabolite M4,CC(C)NCC(COC1=CC=C(C=C1)COCCO)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Horikiri et al., Life Sciences, 63(13), 1998",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O>[Phase I]>CC(C)NCC(COC1=CC=C(C=C1)COCCO)O Bisoprolol to Bisoprolol metabolite M4,NA
2405,Bisoprolol,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O,Phase I,10354230,Des(Isopropoxyethyl)bisoprolol,CC(C)NCC(COC1=CC=C(C=C1)CO)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O>[Phase I]>CC(C)NCC(COC1=CC=C(C=C1)CO)O Bisoprolol to Des(Isopropoxyethyl)bisoprolol,NA
2405,Bisoprolol,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O,Phase I,12540204,Bisoprolol metabolite M3 4-(2-Hydroxy-3-isopropylaminopropoxy)benzoic acid,CC(C)NCC(COC1=CC=C(C=C1)C(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Horikiri et al., Life Sciences, 63(13), 1998",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O>[Phase I]>CC(C)NCC(COC1=CC=C(C=C1)C(=O)O)O Bisoprolol to Bisoprolol metabolite M3 4-(2-Hydroxy-3-isopropylaminopropoxy)benzoic acid,NA
2405,Bisoprolol,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O,Phase I,13621729,Bisoprolol EP Impurity L,CC(C)NCC(COC1=CC=C(C=C1)C=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O>[Phase I]>CC(C)NCC(COC1=CC=C(C=C1)C=O)O Bisoprolol to Bisoprolol EP Impurity L,NA
2405,Bisoprolol,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O,Phase I,91810600,O-(Desisopropyl)-bisoprolol acid (M1),CC(C)NCC(COC1=CC=C(C=C1)COCC(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Horikiri et al., Life Sciences, 63(13), 1998",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O>[Phase I]>CC(C)NCC(COC1=CC=C(C=C1)COCC(=O)O)O Bisoprolol to O-(Desisopropyl)-bisoprolol acid (M1),NA
2405,Bisoprolol,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O,Phase I,91810599,O-(Desisopropyl)-O-(1-carboxyethyl) bisoprolol (M2),CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Horikiri et al., Life Sciences, 63(13), 1998",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O>[Phase I]>CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C(=O)O)O Bisoprolol to O-(Desisopropyl)-O-(1-carboxyethyl) bisoprolol (M2),NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,9795056,"S,S-Hydroxybupropion",C[C@@H]1NC(C)(C)CO[C@@]1(O)C1=CC=CC(Cl)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>C[C@@H]1NC(C)(C)CO[C@@]1(O)C1=CC=CC(Cl)=C1 Bupropion to S,S-Hydroxybupropion",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,9813542,"S,R-erythro-Hydrobupropion",C[C@@H](NC(C)(C)C)[C@@H](O)C1=CC(Cl)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>C[C@@H](NC(C)(C)C)[C@@H](O)C1=CC(Cl)=CC=C1 Bupropion to S,R-erythro-Hydrobupropion",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,9834682,"S,S-threo-Hydrobupropion",C[C@H](NC(C)(C)C)[C@@H](O)C1=CC(Cl)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>C[C@H](NC(C)(C)C)[C@@H](O)C1=CC(Cl)=CC=C1 Bupropion to S,S-threo-Hydrobupropion",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,9879135,R-Hydroxybupropion,C[C@@H](NC(C)(C)CO)C(=O)C1=CC(Cl)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>C[C@@H](NC(C)(C)CO)C(=O)C1=CC(Cl)=CC=C1 Bupropion to R-Hydroxybupropion,NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,9879135,S-Hydroxybupropion,C[C@@H](NC(C)(C)CO)C(=O)C1=CC(Cl)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>C[C@@H](NC(C)(C)CO)C(=O)C1=CC(Cl)=CC=C1 Bupropion to S-Hydroxybupropion,NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,9899562,"R,S-erythro-Hydrobupropion",C[C@H](NC(C)(C)C)[C@H](O)C1=CC(Cl)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>C[C@H](NC(C)(C)C)[C@H](O)C1=CC(Cl)=CC=C1 Bupropion to R,S-erythro-Hydrobupropion",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,9943534,"R,R-threo-Hydrobupropion",C[C@@H](NC(C)(C)C)[C@H](O)C1=CC(Cl)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>C[C@@H](NC(C)(C)C)[C@H](O)C1=CC(Cl)=CC=C1 Bupropion to R,R-threo-Hydrobupropion",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,9943908,"R,R-Hydroxybupropion",C[C@H]1NC(C)(C)CO[C@]1(O)C1=CC=CC(Cl)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>C[C@H]1NC(C)(C)CO[C@]1(O)C1=CC=CC(Cl)=C1 Bupropion to R,R-Hydroxybupropion",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,22943248,(2R)-2-(tert-Butylamino)-1-(3-chlorophenyl)-3-hydroxypropan-1-one,[H]N([C@@]([H])(C(=O)C1=C([H])C(Cl)=C([H])C([H])=C1[H])C([H])([H])O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>[H]N([C@@]([H])(C(=O)C1=C([H])C(Cl)=C([H])C([H])=C1[H])C([H])([H])O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] Bupropion to (2R)-2-(tert-Butylamino)-1-(3-chlorophenyl)-3-hydroxypropan-1-one,NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,49849377,R-4'-Hydroxybupropion,C[C@@H](NC(C)(C)C)C(=O)C1=CC(Cl)=C(O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>C[C@@H](NC(C)(C)C)C(=O)C1=CC(Cl)=C(O)C=C1 Bupropion to R-4'-Hydroxybupropion,NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,154699773,S-4'-Hydroxybupropion,C[C@H](NC(C)(C)C)C(=O)C1=CC(Cl)=C(O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>C[C@H](NC(C)(C)C)C(=O)C1=CC(Cl)=C(O)C=C1 Bupropion to S-4'-Hydroxybupropion,NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,155519228,"S,R-erythro-4'-Hydroxy-hydrobupropion",C[C@@H](NC(C)(C)C)[C@@H](O)C1=CC(Cl)=C(O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>C[C@@H](NC(C)(C)C)[C@@H](O)C1=CC(Cl)=C(O)C=C1 Bupropion to S,R-erythro-4'-Hydroxy-hydrobupropion",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,155535833,"R,R-threo-4'-Hydroxy-hydrobupropion",C[C@@H](NC(C)(C)C)[C@H](O)C1=CC(Cl)=C(O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>C[C@@H](NC(C)(C)C)[C@H](O)C1=CC(Cl)=C(O)C=C1 Bupropion to R,R-threo-4'-Hydroxy-hydrobupropion",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I + II,169501874,R-4'-Hydroxybupropion-sulfate,C[C@@H](NC(C)(C)C)C(=O)C1=CC(Cl)=C(OS(O)(=O)=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I + II]>C[C@@H](NC(C)(C)C)C(=O)C1=CC(Cl)=C(OS(O)(=O)=O)C=C1 Bupropion to R-4'-Hydroxybupropion-sulfate,NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I + II,169501875,S-4'-Hydroxybupropion-sulfate,C[C@H](NC(C)(C)C)C(=O)C1=CC(Cl)=C(OS(O)(=O)=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I + II]>C[C@H](NC(C)(C)C)C(=O)C1=CC(Cl)=C(OS(O)(=O)=O)C=C1 Bupropion to S-4'-Hydroxybupropion-sulfate,NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I + II,169501929,"S,S-Hydroxybupropion-glucuronide",C[C@@H]1NC(C)(C)CO[C@@]1(OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC=CC(Cl)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I + II]>C[C@@H]1NC(C)(C)CO[C@@]1(OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC=CC(Cl)=C1 Bupropion to S,S-Hydroxybupropion-glucuronide",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I + II,169501930,"R,R-Hydroxybupropion-glucuronide",C[C@H]1NC(C)(C)CO[C@]1(OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC=CC(Cl)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I + II]>C[C@H]1NC(C)(C)CO[C@]1(OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC=CC(Cl)=C1 Bupropion to R,R-Hydroxybupropion-glucuronide",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I + II,169501949,"S,S-threo-Hydrobupropion-glucuronide",C[C@H](NC(C)(C)C)[C@@H](OC1O[C@@H]([C@@H](C)[C@H](C)[C@H]1C)C(O)=O)C1=CC(Cl)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I + II]>C[C@H](NC(C)(C)C)[C@@H](OC1O[C@@H]([C@@H](C)[C@H](C)[C@H]1C)C(O)=O)C1=CC(Cl)=CC=C1 Bupropion to S,S-threo-Hydrobupropion-glucuronide",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,169502042,"S,S-threo-4'-Hydroxy-hydrobupropion",C[C@H](NC(C)(C)C)[C@@H](O)C1=CC(Cl)=C(O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>C[C@H](NC(C)(C)C)[C@@H](O)C1=CC(Cl)=C(O)C=C1 Bupropion to S,S-threo-4'-Hydroxy-hydrobupropion",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,169502043,"R,S-erythro-4'-Hydroxy-hydrobupropion",C[C@H](NC(C)(C)C)[C@H](O)C1=CC(Cl)=C(O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>C[C@H](NC(C)(C)C)[C@H](O)C1=CC(Cl)=C(O)C=C1 Bupropion to R,S-erythro-4'-Hydroxy-hydrobupropion",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I,169502043,"R,S-erythro-4'-Hydroxy-hydrobupropion",C[C@H](NC(C)(C)C)[C@H](O)C1=CC(Cl)=C(O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I]>C[C@H](NC(C)(C)C)[C@H](O)C1=CC(Cl)=C(O)C=C1 Bupropion to R,S-erythro-4'-Hydroxy-hydrobupropion",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I + II,169502060,S-4'-Hydroxybupropion-glucuronide,C[C@H](NC(C)(C)C)C(=O)C1=CC(Cl)=C(OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I + II]>C[C@H](NC(C)(C)C)C(=O)C1=CC(Cl)=C(OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1 Bupropion to S-4'-Hydroxybupropion-glucuronide,NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I + II,169502061,R-4'-Hydroxybupropion-glucuronide,C[C@@H](NC(C)(C)C)C(=O)C1=CC(Cl)=C(OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I + II]>C[C@@H](NC(C)(C)C)C(=O)C1=CC(Cl)=C(OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1 Bupropion to R-4'-Hydroxybupropion-glucuronide,NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I + II,169502158,"R,S-erythro-Hydrobupropion-glucuronide",C[C@H](NC(C)(C)C)[C@H](OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC(Cl)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I + II]>C[C@H](NC(C)(C)C)[C@H](OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC(Cl)=CC=C1 Bupropion to R,S-erythro-Hydrobupropion-glucuronide",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I + II,169502159,"S,R-erythro-Hydrobupropion-glucuronide",C[C@@H](NC(C)(C)C)[C@@H](OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC(Cl)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I + II]>C[C@@H](NC(C)(C)C)[C@@H](OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC(Cl)=CC=C1 Bupropion to S,R-erythro-Hydrobupropion-glucuronide",NA
444,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,Phase I + II,169502160,"R,R-threo-Hydrobupropion-glucuronide",C[C@@H](NC(C)(C)C)[C@H](OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC(Cl)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C>[Phase I + II]>C[C@@H](NC(C)(C)C)[C@H](OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC(Cl)=CC=C1 Bupropion to R,R-threo-Hydrobupropion-glucuronide",NA
2519,Caffeine,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,Phase I,108214,5-Acetylamino-6-formylamino-3-methyluracil,CC(=O)NC1=C(NC(=O)N(C1=O)C)NC=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC2=C1C(=O)N(C)C(=O)N2C>[Phase I]>CC(=O)NC1=C(NC(=O)N(C1=O)C)NC=O Caffeine to 5-Acetylamino-6-formylamino-3-methyluracil,NA
2519,Caffeine,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,Phase I,69726,1-Methyluric acid,CN1C(=O)C2=C(NC(=O)N2)NC1=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC2=C1C(=O)N(C)C(=O)N2C>[Phase I]>CN1C(=O)C2=C(NC(=O)N2)NC1=O Caffeine to 1-Methyluric acid,NA
2519,Caffeine,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,Phase I,70346,"1,3-Dimethyluric acid",CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CN1C=NC2=C1C(=O)N(C)C(=O)N2C>[Phase I]>CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2 Caffeine to 1,3-Dimethyluric acid",NA
2519,Caffeine,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,Phase I,91611,"1,7-Dimethyluric acid",CN1C2=C(NC1=O)NC(=O)N(C2=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CN1C=NC2=C1C(=O)N(C)C(=O)N2C>[Phase I]>CN1C2=C(NC1=O)NC(=O)N(C2=O)C Caffeine to 1,7-Dimethyluric acid",NA
2519,Caffeine,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,Phase I,70639,3-Methylxanthine,CN1C2=C(C(=O)NC1=O)NC=N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC2=C1C(=O)N(C)C(=O)N2C>[Phase I]>CN1C2=C(C(=O)NC1=O)NC=N2 Caffeine to 3-Methylxanthine,NA
2519,Caffeine,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,Phase I,79437,"1,3,7-Trimethyluric acid",CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Kanazama et al., J. Chromatogr. A, 870(1-2), 2000",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CN1C=NC2=C1C(=O)N(C)C(=O)N2C>[Phase I]>CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C Caffeine to 1,3,7-Trimethyluric acid",NA
2519,Caffeine,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,Phase I,2153,Theophylline,CN1C2=C(C(=O)N(C1=O)C)NC=N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC2=C1C(=O)N(C)C(=O)N2C>[Phase I]>CN1C2=C(C(=O)N(C1=O)C)NC=N2 Caffeine to Theophylline,NA
2519,Caffeine,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,Phase I,5429,Theobromine,CN1C=NC2=C1C(=O)NC(=O)N2C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Kanazama et al., J. Chromatogr. A, 870(1-2), 2000",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC2=C1C(=O)N(C)C(=O)N2C>[Phase I]>CN1C=NC2=C1C(=O)NC(=O)N2C Caffeine to Theobromine,NA
2519,Caffeine,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,Phase I,68374,7-Methylxanthine,CN1C=NC2=C1C(=O)NC(=O)N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC2=C1C(=O)N(C)C(=O)N2C>[Phase I]>CN1C=NC2=C1C(=O)NC(=O)N2 Caffeine to 7-Methylxanthine,NA
2519,Caffeine,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,Phase I,80220,1-Methylxanthine,CN1C(=O)C2=C(NC1=O)N=CN2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1C=NC2=C1C(=O)N(C)C(=O)N2C>[Phase I]>CN1C(=O)C2=C(NC1=O)N=CN2 Caffeine to 1-Methylxanthine,NA
2519,Caffeine,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,Phase I,4687,"1,7-Dimethylxanthine/Paraxanthine",CN1C=NC2=C1C(=O)N(C)C(=O)N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Kanazama et al., J. Chromatogr. A, 870(1-2), 2000",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CN1C=NC2=C1C(=O)N(C)C(=O)N2C>[Phase I]>CN1C=NC2=C1C(=O)N(C)C(=O)N2 Caffeine to 1,7-Dimethylxanthine/Paraxanthine",NA
17507,Dobesilic acid,C1=CC(=C(C=C1O)S(=O)(=O)O)O,Phase II,169501839,Dobesilic-glucuronide 2,C1=CC(=C(C=C1OC2OC(C(O)C(O)C2O)C(O)=O)S(=O)(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",Biotransformer AllHuman,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1=CC(=C(C=C1O)S(=O)(=O)O)O>[Phase II]>C1=CC(=C(C=C1OC2OC(C(O)C(O)C2O)C(O)=O)S(=O)(=O)O)O Dobesilic acid to Dobesilic-glucuronide 2,NA
17507,Dobesilic acid,C1=CC(=C(C=C1O)S(=O)(=O)O)O,Phase II,169502110,Dobesilic-glucuronide 1,C1=CC(=C(C=C1O)S(=O)(=O)O)OC2OC(C(O)C(O)C2O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",Biotransformer AllHuman,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1=CC(=C(C=C1O)S(=O)(=O)O)O>[Phase II]>C1=CC(=C(C=C1OC2OC(C(O)C(O)C2O)C(O)=O)S(=O)(=O)O)O Dobesilic acid to Dobesilic-glucuronide 2,NA
5280980,Calvulanic Aicd,C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O,Phase I,13368156,1-Amino-4-hydroxybutan-2-one,C(CO)C(=O)CN,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O>[Phase I]>C(CO)C(=O)CN Calvulanic Aicd to 1-Amino-4-hydroxybutan-2-one,NA
5280980,Calvulanic Aicd,C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O,Phase I,54256997,"2,5-Dihydro-4-(2- hydroxyethyl)-5-oxo-1H-pyrrole-3-carboxylic acid",OCCC1=C(CNC1=O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O>[Phase I]>OCCC1=C(CNC1=O)C(O)=O Calvulanic Aicd to 2,5-Dihydro-4-(2- hydroxyethyl)-5-oxo-1H-pyrrole-3-carboxylic acid",NA
24812758,Canagliflozin,CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F,Phase I,121428312,Hydroxycanagliflozin (M9),CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(C3=CC=C(S3)C4=CC=C(C=C4)F)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F>[Phase I]>CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(C3=CC=C(S3)C4=CC=C(C=C4)F)O Canagliflozin to Hydroxycanagliflozin (M9),NA
24812758,Canagliflozin,CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F,Phase II,169502148,Canagliflozin-glucuronide (M7),CC1=C(CC2=CC=C(C3=CC=C(F)C=C3)S2)C=C([C@H]4[C@H](O)[C@@H](OC5C(O)C(O)C(O)C(C(O)=O)O5)[C@H](O)[C@@H](CO)O4)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F>[Phase II]>CC1=C(CC2=CC=C(C3=CC=C(F)C=C3)S2)C=C([C@H]4[C@H](O)[C@@H](OC5C(O)C(O)C(O)C(C(O)=O)O5)[C@H](O)[C@@H](CO)O4)C=C1 Canagliflozin to Canagliflozin-glucuronide (M7),NA
24812758,Canagliflozin,CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F,Phase II,169502150,Canagliflozin-glucuronide (M5),CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC3C(C(C(C(O3)C(O)=O)O)O)O)CC4=CC=C(S4)C5=CC=C(C=C5)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F>[Phase II]>CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC3C(C(C(C(O3)C(O)=O)O)O)O)CC4=CC=C(S4)C5=CC=C(C=C5)F Canagliflozin to Canagliflozin-glucuronide (M5),NA
2541,Candesartan,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O,Phase I,19388302,Valsartan acid,C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O>[Phase I]>C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3 Candesartan to Valsartan acid,NA
2540,Candesartan Cilexetil,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,Phase I,2541,Candesartan,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6>[Phase I]>CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O Candesartan Cilexetil to Candesartan,NA
2540,Candesartan Cilexetil,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,Phase I,10047287,O-Desethylcandesartan,C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C4=C(C=CC=C4NC3=O)C(=O)O)C5=NNN=N5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6>[Phase I]>C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C4=C(C=CC=C4NC3=O)C(=O)O)C5=NNN=N5 Candesartan Cilexetil to O-Desethylcandesartan,NA
2540,Candesartan Cilexetil,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,Phase II,131750716,Candesartan-N2-glucuronide,[H][C@@]1(O)[C@@]([H])(O)C([H])(O[C@]([H])(C(O)=O)[C@@]1([H])O)N1N=NN=C1C1=CC=CC=C1C1=CC=C(CN2C(OCC)=NC3=CC=CC(C(O)=O)=C23)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6>[Phase II]>[H][C@@]1(O)[C@@]([H])(O)C([H])(O[C@]([H])(C(O)=O)[C@@]1([H])O)N1N=NN=C1C1=CC=CC=C1C1=CC=C(CN2C(OCC)=NC3=CC=CC(C(O)=O)=C23)C=C1 Candesartan Cilexetil to Candesartan-N2-glucuronide,NA
2540,Candesartan Cilexetil,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,Phase I + II,131769984,Candesartan-O-glucuronide,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6>[Phase I + II]>CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O Candesartan Cilexetil to Candesartan-O-glucuronide,NA
60953,Capecitabine,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,Phase I,13351,α-Fluoro-ß-alanine (FBAL),C(C(C(=O)O)F)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O>[Phase I]>C(C(C(=O)O)F)N Capecitabine to α-Fluoro-ß-alanine (FBAL),NA
60953,Capecitabine,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,Phase I,10037499,5'-Deoxy-5-fluorocytidine (5'-DFCR),C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O>[Phase I]>C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)O)O Capecitabine to 5'-Deoxy-5-fluorocytidine (5'-DFCR),NA
60953,Capecitabine,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,Phase I,14608008,5'-Deoxy-5'-fluorouridine (5'-DFUR),C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CF)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O>[Phase I]>C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CF)O)O Capecitabine to 5'-Deoxy-5'-fluorouridine (5'-DFUR),NA
60953,Capecitabine,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,Phase I,151244,5-Fluoroureidopropionic acid (FUPA),C(C(C(=O)O)F)NC(=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O>[Phase I]>C(C(C(=O)O)F)NC(=O)N Capecitabine to 5-Fluoroureidopropionic acid (FUPA),NA
60953,Capecitabine,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,Phase I,3366,5-Fluorocytosine (5-FC),O=C1N=C(N)C(F)=CN1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Desmoulin et al., Drug Metab. Dispos., 30(11), 2002",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O>[Phase I]>O=C1N=C(N)C(F)=CN1 Capecitabine to 5-Fluorocytosine (5-FC),NA
60953,Capecitabine,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,Phase I,121997,Dihydro-5-fluorouracil (FUH2),C1C(C(=O)NC(=O)N1)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O>[Phase I]>C1C(C(=O)NC(=O)N1)F Capecitabine to Dihydro-5-fluorouracil (FUH2),NA
60953,Capecitabine,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,Phase I,13166059,5-Fluoro-6-hydroxycytosine (5-FCOH),O=C1N=C(N)C(F)=C(O)N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Desmoulin et al., Drug Metab. Dispos., 30(11), 2002",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O>[Phase I]>O=C1N=C(N)C(F)=C(O)N1 Capecitabine to 5-Fluoro-6-hydroxycytosine (5-FCOH),NA
60953,Capecitabine,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,Phase I,10329261,2-Fluoro-3-hydroxypropionic acid  (FHPA),O=C(O)C(F)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Desmoulin et al., Drug Metab. Dispos., 30(11), 2002",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O>[Phase I]>O=C(O)C(F)CO Capecitabine to 2-Fluoro-3-hydroxypropionic acid  (FHPA),NA
60953,Capecitabine,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,Phase I,11809635,"2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine",C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)OC(=O)C)OC(=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O>[Phase I]>C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)OC(=O)C)OC(=O)C Capecitabine to 2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine",NA
60953,Capecitabine,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,Phase I,3385,5-Fluorouracil (5-FU),C1=C(C(=O)NC(=O)N1)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O>[Phase I]>C1=C(C(=O)NC(=O)N1)F Capecitabine to 5-Fluorouracil (5-FU),NA
60953,Capecitabine,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,Phase I,23236032,N-Carboxy-α-fluoro-β-alanine (CFBAL),O=C(O)C(F)CNC(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Desmoulin et al., Drug Metab. Dispos., 30(11), 2002",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O>[Phase I]>O=C(O)C(F)CNC(O)=O Capecitabine to N-Carboxy-α-fluoro-β-alanine (CFBAL),NA
60953,Capecitabine,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,Phase I,5237,Fluoroacetate (FAC),O=C(O)CF,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Desmoulin et al., Drug Metab. Dispos., 30(11), 2002",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O>[Phase I]>O=C(O)CF Capecitabine to Fluoroacetate (FAC),NA
2554,Carbamazepine,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,Phase I,2555,"Carbamazepine-10,11-epoxide",C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N>[Phase I]>C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N Carbamazepine to Carbamazepine-10,11-epoxide",NA
2554,Carbamazepine,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,Phase I,9212,Iminostilbene,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N>[Phase I]>C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2 Carbamazepine to Iminostilbene,NA
2554,Carbamazepine,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,Phase I,83852,"Carbamazepine-10,11-dihydro-10,11-dihydroxy",C1=CC=C2C(=C1)C(C(C3=CC=CC=C3N2C(=O)N)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N>[Phase I]>C1=CC=C2C(=C1)C(C(C3=CC=CC=C3N2C(=O)N)O)O Carbamazepine to Carbamazepine-10,11-dihydro-10,11-dihydroxy",NA
2554,Carbamazepine,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,Phase I,129274,2-Hydroxycarbamazepine,NC(=O)N1C2=CC=CC=C2C=CC2=CC(O)=CC=C12,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N>[Phase I]>NC(=O)N1C2=CC=CC=C2C=CC2=CC(O)=CC=C12 Carbamazepine to 2-Hydroxycarbamazepine,NA
2554,Carbamazepine,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,Phase I,135290,3-Hydroxycarbamazepine,NC(=O)N1C2=CC=CC=C2C=CC2=CC=C(O)C=C12,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N>[Phase I]>NC(=O)N1C2=CC=CC=C2C=CC2=CC=C(O)C=C12 Carbamazepine to 3-Hydroxycarbamazepine,NA
2554,Carbamazepine,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,Phase I,135291,9-Hydroxymethyl-10-carbamoyl acridan,C1C=CC=C2C1=C(C3=CC=CC=C3N2C(=O)N)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N>[Phase I]>C1C=CC=C2C1=C(C3=CC=CC=C3N2C(=O)N)CO Carbamazepine to 9-Hydroxymethyl-10-carbamoyl acridan,NA
2554,Carbamazepine,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,Phase I,13103864,2-hydroxyiminostilbene,C1=CC=C2C(=C1)C=CC3=C(N2)C=CC(=C3)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N>[Phase I]>C1=CC=C2C(=C1)C=CC3=C(N2)C=CC(=C3)O Carbamazepine to 2-hydroxyiminostilbene,NA
2554,Carbamazepine,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,Phase I,24892806,"2,3-Dihydroxycarbamazepine",C1=CC=C2C(=C1)C=CC3=CC(=C(C=C3N2C(=O)N)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N>[Phase I]>C1=CC=C2C(=C1)C=CC3=CC(=C(C=C3N2C(=O)N)O)O Carbamazepine to 2,3-Dihydroxycarbamazepine",NA
2554,Carbamazepine,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,Phase I,24892807,Carbamazepine-o-quinone,C1=CC=C2C(=C1)C=CC3=CC(=O)C(=O)C=C3N2C(=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N>[Phase I]>C1=CC=C2C(=C1)C=CC3=CC(=O)C(=O)C=C3N2C(=O)N Carbamazepine to Carbamazepine-o-quinone,NA
2554,Carbamazepine,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,Phase II,73743525,Carbamazepine-N-glucuronide,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)NC4C(C(C(C(O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N>[Phase II]>C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)NC4C(C(C(C(O4)C(=O)O)O)O)O Carbamazepine to Carbamazepine-N-glucuronide,NA
2554,Carbamazepine,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,Phase I,132942542,Iminoquinone (derive from iminostilbene),C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N=C3C=CC(=O)C(=C3C(=O)C4=CC=CC=C4)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N>[Phase I]>C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N=C3C=CC(=O)C(=C3C(=O)C4=CC=CC=C4)N Carbamazepine to Iminoquinone (derive from iminostilbene),NA
2554,Carbamazepine,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,Phase I,145722035,"Carbamazepine-2,3-epoxide",NC(=O)N1C2=CC=CC=C2C=CC2=CC3OC3C=C12,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N>[Phase I]>NC(=O)N1C2=CC=CC=C2C=CC2=CC3OC3C=C12 Carbamazepine to Carbamazepine-2,3-epoxide",NA
2554,Carbamazepine,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,Phase I + II,169502239,"Carbamazepine-10,11-epoxide-N-glucuronide",O=C(NC1C(O)C(O)C(O)C(C(O)=O)O1)N2C3=CC=CC=C3C(O4)=C4C5=CC=CC=C52,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N>[Phase I + II]>O=C(NC1C(O)C(O)C(O)C(C(O)=O)O1)N2C3=CC=CC=C3C(O4)=C4C5=CC=CC=C52 Carbamazepine to Carbamazepine-10,11-epoxide-N-glucuronide",NA
21975,Carbasalate Calcium,CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2],Phase I,338,Salicylic acid,C1=CC=C(C(=C1)C(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2]>[Phase I]>C1=CC=C(C(=C1)C(=O)O)O Carbasalate Calcium to Salicylic acid,NA
21975,Carbasalate Calcium,CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2],Phase I,10253,Salicyluric acid,C1=CC=C(C(=C1)C(=O)NCC(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2]>[Phase I]>C1=CC=C(C(=C1)C(=O)NCC(=O)O)O Carbasalate Calcium to Salicyluric acid,NA
21975,Carbasalate Calcium,CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2],Phase I + II,14427757,Salicylic acid-acyl-glucuoronide,C1=CC=C(C(=C1)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2]>[Phase I + II]>C1=CC=C(C(=C1)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O Carbasalate Calcium to Salicylic acid-acyl-glucuoronide,NA
21975,Carbasalate Calcium,CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2],Phase I + II,121596205,Salicyluric-glucuronide,C1=CC=C(C(=C1)C(=O)NCC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2]>[Phase I + II]>C1=CC=C(C(=C1)C(=O)NCC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O Carbasalate Calcium to Salicyluric-glucuronide,NA
21975,Carbasalate Calcium,CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2],Phase I + II,169501861,Salicyluric-sulfate,O=C(NCC(OS(=O)(O)=O)=O)C1=CC=CC=C1O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2]>[Phase I + II]>O=C(NCC(OS(=O)(O)=O)=O)C1=CC=CC=C1O Carbasalate Calcium to Salicyluric-sulfate,NA
34359,Carbidopa,C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN,Phase I,169501840,3-(3-Hydroxyphenyl)-2-methyllactic acid,CC(CC1CCCC(C1)O)(C(=O)O)O ,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN>[Phase I]>CC(CC1CCCC(C1)O)(C(=O)O)O  Carbidopa to 3-(3-Hydroxyphenyl)-2-methyllactic acid,NA
34359,Carbidopa,C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN,Phase I,13279657,3-(4-Hydroxy-3-methoxyphenyl)-2-methyllactic acid,CC(CC1=CC(=C(C=C1)O)OC)(C(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN>[Phase I]>CC(CC1=CC(=C(C=C1)O)OC)(C(=O)O)O Carbidopa to 3-(4-Hydroxy-3-methoxyphenyl)-2-methyllactic acid,NA
34359,Carbidopa,C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN,Phase I,2762430,"3,4-Dihydroxyphenylacetone",CC(=O)CC1=CC(=C(C=C1)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN>[Phase I]>CC(=O)CC1=CC(=C(C=C1)O)O Carbidopa to 3,4-Dihydroxyphenylacetone",NA
34359,Carbidopa,C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN,Phase I,21563790,"3-(3,4-Dihydroxyphenyl)-2-methylpropionic acid",CC(CC1=CC(=C(C=C1)O)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN>[Phase I]>CC(CC1=CC(=C(C=C1)O)O)C(=O)O Carbidopa to 3-(3,4-Dihydroxyphenyl)-2-methylpropionic acid",NA
34359,Carbidopa,C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN,Phase I,24972323,3-(4-Hydroxy-3-methoxyphenyl)-2-methylpropionic acid,CC(CC1=CC(=C(C=C1)O)OC)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN>[Phase I]>CC(CC1=CC(=C(C=C1)O)OC)C(=O)O Carbidopa to 3-(4-Hydroxy-3-methoxyphenyl)-2-methylpropionic acid,NA
34359,Carbidopa,C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN,Phase I,23378291,3-(3-Hydroxyphenyl)-2-methylpropionic acid,CC(CC1=CC(=CC=C1)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN>[Phase I]>CC(CC1=CC(=CC=C1)O)C(=O)O Carbidopa to 3-(3-Hydroxyphenyl)-2-methylpropionic acid,NA
193653,Carbocisteine,C([C@@H](C(=O)O)N)SCC(=O)O,Phase I,594,Cisteine,C(C(C(=O)O)N)S,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C([C@@H](C(=O)O)N)SCC(=O)O>[Phase I]>C(C(C(=O)O)N)S Carbocisteine to Cisteine,NA
193653,Carbocisteine,C([C@@H](C(=O)O)N)SCC(=O)O,Phase I,95496,Carbocisteine-sulfoxide,C(C(C(=O)O)N)S(=O)CC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C([C@@H](C(=O)O)N)SCC(=O)O>[Phase I]>C(C(C(=O)O)N)S(=O)CC(=O)O Carbocisteine to Carbocisteine-sulfoxide,NA
193653,Carbocisteine,C([C@@H](C(=O)O)N)SCC(=O)O,Phase II,169501996,Acetylcarbocisteine,O=C(O)[C@@H](N)CSCC(OC(C)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C([C@@H](C(=O)O)N)SCC(=O)O>[Phase II]>O=C(O)[C@@H](N)CSCC(OC(C)=O)=O Carbocisteine to Acetylcarbocisteine,NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I,127014,3-Hydroxycarvedilol,COC1=CC=CC=C1OCCNCC(COC2=C(C=CC3=C2C4=CC=CC=C4N3)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I]>COC1=CC=CC=C1OCCNCC(COC2=C(C=CC3=C2C4=CC=CC=C4N3)O)O Carvedilol to 3-Hydroxycarvedilol,NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I,155763,O-Desmethylcarvedilol (M2),C1=CC=C2C(=C1)C3=C(N2)C=CC=C3OCC(CNCCOC4=CC=CC=C4O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I]>C1=CC=C2C(=C1)C3=C(N2)C=CC=C3OCC(CNCCOC4=CC=CC=C4O)O Carvedilol to O-Desmethylcarvedilol (M2),NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I,182523,1-Hydroxycarvedilol (M14),COC1=CC=CC=C1OCCNCC(COC2=C3C4=CC=CC=C4NC3=C(C=C2)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I]>COC1=CC=CC=C1OCCNCC(COC2=C3C4=CC=CC=C4NC3=C(C=C2)O)O Carvedilol to 1-Hydroxycarvedilol (M14),NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I,4181439,5'-Hydroxyphenylcarvedilol (M5),COC1=C(C=C(C=C1)O)OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I]>COC1=C(C=C(C=C1)O)OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O Carvedilol to 5'-Hydroxyphenylcarvedilol (M5),NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I,4572774,4'-Hydroxyphenylcarvedilol (M4),COC1=C(C=CC(=C1)O)OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I]>COC1=C(C=CC(=C1)O)OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O Carvedilol to 4'-Hydroxyphenylcarvedilol (M4),NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I,9979639,8-Hydroxycarvedilol (M16),COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=C(N3)C(=CC=C4)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I]>COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=C(N3)C(=CC=C4)O)O Carvedilol to 8-Hydroxycarvedilol (M16),NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I,10082450,Carvedilol metabolite M8,OCC(O)CNCCOC1=CC=CC=C1O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I]>OCC(O)CNCCOC1=CC=CC=C1O Carvedilol to Carvedilol metabolite M8,NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase II,49849580,Carvedilol-glucuronide,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase II]>COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O Carvedilol to Carvedilol-glucuronide,NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I + II,71749246,5'-Hydroxyphenylcarvedilol-sulfate (M7),COC1=C(OCCNCC(O)COC2=CC=CC3=C2C4=CC=CC=C4N3)C=C(OS(=O)(O)=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I + II]>COC1=C(OCCNCC(O)COC2=CC=CC3=C2C4=CC=CC=C4N3)C=C(OS(=O)(O)=O)C=C1 Carvedilol to 5'-Hydroxyphenylcarvedilol-sulfate (M7),NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I + II,71749248,4'-Hydroxyphenylcarvedilol-sulfate (M6),COC1=C(OCCNCC(O)COC2=CC=CC3=C2C4=CC=CC=C4N3)C=CC(OS(=O)(O)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I + II]>COC1=C(OCCNCC(O)COC2=CC=CC3=C2C4=CC=CC=C4N3)C=CC(OS(=O)(O)=O)=C1 Carvedilol to 4'-Hydroxyphenylcarvedilol-sulfate (M6),NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I + II,169441592,8-Hydroxycarvedilol-glucuronide (M17),COC1=CC=CC=C1OCCNCC(O)COC2=CC=CC3=C2C4=C(C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(O)=O)O)O)O)=CC=C4)N3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I + II]>COC1=CC=CC=C1OCCNCC(O)COC2=CC=CC3=C2C4=C(C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(O)=O)O)O)O)=CC=C4)N3 Carvedilol to 8-Hydroxycarvedilol-glucuronide (M17),NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I + II,169441594,1-Hydroxycarvedilol-glucuronide (M15),O[C@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)[C@@H]1OC(C=C2)=C3NC4=CC=CC=C4C3=C2OCC(O)CNCCOC5=CC=CC=C5OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I + II]>O[C@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)[C@@H]1OC(C=C2)=C3NC4=CC=CC=C4C3=C2OCC(O)CNCCOC5=CC=CC=C5OC Carvedilol to 1-Hydroxycarvedilol-glucuronide (M15),NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I + II,169501903,O-Desmethylcarvedilol-sulfate (M22),OC(CNCCOC1=CC=CC=C1OS(=O)(O)=O)COC2=CC=CC3=C2C4=CC=CC=C4N3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I + II]>OC(CNCCOC1=CC=CC=C1OS(=O)(O)=O)COC2=CC=CC3=C2C4=CC=CC=C4N3 Carvedilol to O-Desmethylcarvedilol-sulfate (M22),NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I + II,169501942,5'-Hydroxyphenylcarvedilol-glucuronide (M30),O[C@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)[C@@H]1OC(C=C2)=CC(OCCNCC(O)COC3=CC=CC4=C3C5=CC=CC=C5N4)=C2OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I + II]>O[C@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)[C@@H]1OC(C=C2)=CC(OCCNCC(O)COC3=CC=CC4=C3C5=CC=CC=C5N4)=C2OC Carvedilol to 5'-Hydroxyphenylcarvedilol-glucuronide (M30),NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I + II,169502045,"O-Desmethylcarvedilol-glucuornide (M3, M38a, M38b)",C=C(OCC(O)CNCCOC1=CC=CC=C1O[C@H]2[C@@H]([C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)O)C3=CNC4=CC=CC=C43,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I + II]>C=C(OCC(O)CNCCOC1=CC=CC=C1O[C@H]2[C@@H]([C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)O)C3=CNC4=CC=CC=C43 Carvedilol to O-Desmethylcarvedilol-glucuornide (M3, M38a, M38b)",NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I,169502238,2-Hydroxycarvedilol,COC1=CC=CC=C1OCCNCC(O)COC2=CC(O)=CC3=C2C4=CC=CC=C4N3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I]>COC1=CC=CC=C1OCCNCC(O)COC2=CC(O)=CC3=C2C4=CC=CC=C4N3 Carvedilol to 2-Hydroxycarvedilol,NA
2585,Carvedilol,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,Phase I + II,169502252,4'-Hydroxyphenylcarvedilol-glucuronide (M29),O[C@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)[C@@H]1OC2=CC(OC)=C(OCCNCC(O)COC3=CC=CC4=C3C5=CC=CC=C5N4)C=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O>[Phase I + II]>O[C@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)[C@@H]1OC2=CC(OC)=C(OCCNCC(O)COC3=CC=CC4=C3C5=CC=CC=C5N4)C=C2 Carvedilol to 4'-Hydroxyphenylcarvedilol-glucuronide (M29),NA
51039,Cefaclor,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl,Phase I,169501910,Cefaclor metabolite,C1C(C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",Biotransformer AllHuman,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl>[Phase I]>C1C(C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl Cefaclor to Cefaclor metabolite,NA
51039,Cefaclor,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl,Phase II,169502092,Cefaclor-glucuronide 2,C1C(C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OC4OC(C(O)C(O)C4O)C(O)=O)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",Biotransformer AllHuman,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl>[Phase II]>C1C(C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OC4OC(C(O)C(O)C4O)C(O)=O)Cl Cefaclor to Cefaclor-glucuronide 2,NA
51039,Cefaclor,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl,Phase II,169502120,Cefaclor-glucuronide 1,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OC4OC(C(O)C(O)C4O)C(O)=O)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",Biotransformer AllHuman,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl>[Phase II]>C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OC4OC(C(O)C(O)C4O)C(O)=O)Cl Cefaclor to Cefaclor-glucuronide 1,NA
5479537,Cefepime,C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-],Phase I,8454,1-Methylpyrrolidine,CN1CCCC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-]>[Phase I]>CN1CCCC1 Cefepime to 1-Methylpyrrolidine,NA
5479537,Cefepime,C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-],Phase I,10080339,N-Methylpyrrolidine-N-oxide,C[N+]1(CCCC1)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-]>[Phase I]>C[N+]1(CCCC1)[O-] Cefepime to N-Methylpyrrolidine-N-oxide,NA
5479537,Cefepime,C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-],Phase I,29933395,7-Epimer of cefepime,C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-]>[Phase I]>C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-] Cefepime to 7-Epimer of cefepime,NA
6526396,Cefpodoxime Proxetil,CC(C)OC(=O)OC(C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)COC,Phase I,6335986,Cefpodoxim,COCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)OC(=O)OC(C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)COC>[Phase I]>COCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O Cefpodoxime Proxetil to Cefpodoxim,NA
6321416,Cefuroxime Axetil,CC(OC(=O)C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CC=CO3)COC(=O)N,0,5479529,Cefuroxime,CO/N=C(/C1=CC=CO1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(OC(=O)C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CC=CO3)COC(=O)N>[0]>CO/N=C(/C1=CC=CO1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O Cefuroxime Axetil to Cefuroxime,NA
2662,Celecoxib,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,Phase I,9908776,4'-Hydroxycelecoxib,C1=CC(=CC=C1CO)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F>[Phase I]>C1=CC(=CC=C1CO)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F Celecoxib to 4'-Hydroxycelecoxib,NA
2662,Celecoxib,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,Phase I,10047220,Celecoxib carboxylic acid,C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F>[Phase I]>C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C(=O)O Celecoxib to Celecoxib carboxylic acid,NA
2662,Celecoxib,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,Phase I + II,131770042,Celecoxib-glucuronide,C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)OC4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F>[Phase I + II]>C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)OC4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O Celecoxib to Celecoxib-glucuronide,NA
2662,Celecoxib,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,Phase I + II,169502284,Carboxycelecoxib-glucuronide,O=S(C(C=C1)=CC=C1N2N=C(C(F)(F)F)C=C2C3=CC=C(C(OC4[C@@H](O)[C@H](O)[C@@H](O)[C@H](C(O)=O)O4)=O)C=C3)(N)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Paulson et al., Drug Metab. Dispos., 28(5), 2000",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F>[Phase I + II]>O=S(C(C=C1)=CC=C1N2N=C(C(F)(F)F)C=C2C3=CC=C(C(OC4[C@@H](O)[C@H](O)[C@@H](O)[C@H](C(O)=O)O4)=O)C=C3)(N)=O Celecoxib to Carboxycelecoxib-glucuronide,NA
2678,Cetirizine,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,Phase I,8653,4-Chlorobenzophenone,C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl>[Phase I]>C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl Cetirizine to 4-Chlorobenzophenone,NA
2678,Cetirizine,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,Phase I,9340,1-[(4-Chlorophenyl)phenylmethyl]piperazine,C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl>[Phase I]>C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl Cetirizine to 1-[(4-Chlorophenyl)phenylmethyl]piperazine,NA
2678,Cetirizine,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,Phase I,3419898,O-dealkyl-cetirizine,C1CN(CCN1CCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl>[Phase I]>C1CN(CCN1CCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl Cetirizine to O-dealkyl-cetirizine,NA
2678,Cetirizine,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,Phase I,45038602,Cetirizine-N-Oxide,C1C[N+](CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)(CCOCC(=O)O)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl>[Phase I]>C1C[N+](CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)(CCOCC(=O)O)[O-] Cetirizine to Cetirizine-N-Oxide,NA
2678,Cetirizine,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,Phase II,169502273,Cetirizine-glucuronide,O=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O1)COCCN2CCN(C(C3=CC=C(Cl)C=C3)C4=CC=CC=C4)CC2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Portnoy and Dinakar, Expert Opin. Pharmacother., 125-135, 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl>[Phase II]>O=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O1)COCCN2CCN(C(C3=CC=C(Cl)C=C3)C4=CC=CC=C4)CC2 Cetirizine to Cetirizine-glucuronide,NA
2707,Chloral Hydrate,C(C(Cl)(Cl)Cl)(O)O,Phase I + II,3036914,Trichloroethanol-glucuronide/Urochloralic acid,C(C(Cl)(Cl)Cl)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C(C(Cl)(Cl)Cl)(O)O>[Phase I + II]>C(C(Cl)(Cl)Cl)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O Chloral Hydrate to Trichloroethanol-glucuronide/Urochloralic acid,NA
2707,Chloral Hydrate,C(C(Cl)(Cl)Cl)(O)O,Phase I,760,Glyoxylate,O=C(O)C([H])=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Shroads et al., Drug Metab. Pers. Ther., 30(1), 2014",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C(C(Cl)(Cl)Cl)(O)O>[Phase I]>O=C(O)C([H])=O Chloral Hydrate to Glyoxylate,NA
2707,Chloral Hydrate,C(C(Cl)(Cl)Cl)(O)O,Phase I,6421,Trichloroacetic acid,C(=O)(C(Cl)(Cl)Cl)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C(C(Cl)(Cl)Cl)(O)O>[Phase I]>C(=O)(C(Cl)(Cl)Cl)O Chloral Hydrate to Trichloroacetic acid,NA
2707,Chloral Hydrate,C(C(Cl)(Cl)Cl)(O)O,Phase I,6597,Dichloroacetic acid,O=C(O)C([H])(Cl)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Shroads et al., Drug Metab. Pers. Ther., 30(1), 2014",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C(C(Cl)(Cl)Cl)(O)O>[Phase I]>O=C(O)C([H])(Cl)Cl Chloral Hydrate to Dichloroacetic acid,NA
2707,Chloral Hydrate,C(C(Cl)(Cl)Cl)(O)O,Phase I,8259,Trichlorethanol,C(C(Cl)(Cl)Cl)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C(C(Cl)(Cl)Cl)(O)O>[Phase I]>C(C(Cl)(Cl)Cl)O Chloral Hydrate to Trichlorethanol,NA
667467,Chlorprothixene,CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,Phase I,169501905,Desmethylchlorprothixene-sulfoxide,CNCC/C=C\1/C2CCCCC2S(=O)C2CCC(CC12)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl>[Phase I]>CNCC/C=C\1/C2CCCCC2S(=O)C2CCC(CC12)Cl Chlorprothixene to Desmethylchlorprothixene-sulfoxide,NA
667467,Chlorprothixene,CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,Phase I,6439690,Chloroprothixene-sulfoxide,CN(C)CC/C=C\1/C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl>[Phase I]>CN(C)CC/C=C\1/C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl Chlorprothixene to Chloroprothixene-sulfoxide,NA
667467,Chlorprothixene,CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,Phase I,169502008,Didesmethylchlorprothixene,NCC/C=C1C2=CC=CC=C2SC3=C/1C=C(Cl)C=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl>[Phase I]>NCC/C=C1C2=CC=CC=C2SC3=C/1C=C(Cl)C=C3 Chlorprothixene to Didesmethylchlorprothixene,NA
667467,Chlorprothixene,CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,Phase I,3060043,Ring-hydroxy chloroprothixene metabolite (hydroxylation at different positions possible),CN(CC/C=C1C2=CC=C(O)C=C2SC3=C/1C=C(Cl)C=C3)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl>[Phase I]>CN(CC/C=C1C2=CC=C(O)C=C2SC3=C/1C=C(Cl)C=C3)C Chlorprothixene to Ring-hydroxy chloroprothixene metabolite (hydroxylation at different positions possible),NA
667467,Chlorprothixene,CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,Phase I,71366161,Desmethylchlorprothixene,CNCC/C=C1C2=CC=CC=C2SC3=C/1C=C(Cl)C=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl>[Phase I]>CNCC/C=C1C2=CC=CC=C2SC3=C/1C=C(Cl)C=C3 Chlorprothixene to Desmethylchlorprothixene,NA
667467,Chlorprothixene,CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,Phase I,169501888,Chlorprothixene metabolite,CN(=O)(C)CC/C=C\1/C2CCCCC2S(=O)C2CCC(CC12)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl>[Phase I]>CN(=O)(C)CC/C=C\1/C2CCCCC2S(=O)C2CCC(CC12)Cl Chlorprothixene to Chlorprothixene metabolite,NA
2732,Chlorthalidone,C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O,Phase II,169502048,Chlorthalidone-glucuronide,O=C1C2=CC=CC=C2C(C3=CC(S(=O)(NC4OC(C(O)=O)C(C(C4O)O)O)=O)=C(Cl)C=C3)(O)N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",Biotransformer AllHuman,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O>[Phase II]>O=C1C2=CC=CC=C2C(C3=CC(S(=O)(NC4OC(C(O)=O)C(C(C4O)O)O)=O)=C(Cl)C=C3)(O)N1 Chlorthalidone to Chlorthalidone-glucuronide,NA
5284373,Ciclosporin,CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,Phase I,10260788,Cyclosporine AM9 (M1),CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)(C)O)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C>[Phase I]>CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)(C)O)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C Ciclosporin to Cyclosporine AM9 (M1),NA
5284373,Ciclosporin,CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,Phase I,10653928,Cyclosporine AM1 (M17),CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/CO)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C>[Phase I]>CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/CO)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C Ciclosporin to Cyclosporine AM1 (M17),NA
5284373,Ciclosporin,CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,Phase I,11115853,Cyclosporine AM-4N (M21),CC[C@H]1C(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C>[Phase I]>CC[C@H]1C(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C Ciclosporin to Cyclosporine AM-4N (M21),NA
5284373,Ciclosporin,CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,Phase II,49767023,Cyclosporine-sulfate,CC[C@H]1C(N(C)CC(N(C)[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N(C)[C@@H](CC(C)C)C(N[C@@H](C)C(N[C@H](C)C(N(C)[C@@H](CC(C)C)C(N(C)[C@@H](CC(C)C)C(N(C)[C@@H](C(C)C)C(N(C)[C@@H]([C@H](OS(O)(=O)=O)[C@@H](C/C=C/C)C)C(N1)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Christians et al., Pharmacol. Ther., 57(2-3), 1993",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C>[Phase II]>CC[C@H]1C(N(C)CC(N(C)[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N(C)[C@@H](CC(C)C)C(N[C@@H](C)C(N[C@H](C)C(N(C)[C@@H](CC(C)C)C(N(C)[C@@H](CC(C)C)C(N(C)[C@@H](C(C)C)C(N(C)[C@@H]([C@H](OS(O)(=O)=O)[C@@H](C/C=C/C)C)C(N1)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O Ciclosporin to Cyclosporine-sulfate,NA
1547484,Cinnarizine,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4,Phase I,86803,1-Cinnamylpiperazine,C1CN(CCN1)CC=CC2=CC=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4>[Phase I]>C1CN(CCN1)CC=CC2=CC=CC=C2 Cinnarizine to 1-Cinnamylpiperazine,NA
1547484,Cinnarizine,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4,Phase I,70048,Cinnarizine metabolite M1,C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4>[Phase I]>C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3 Cinnarizine to Cinnarizine metabolite M1,NA
1547484,Cinnarizine,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4,Phase I,54225974,Cinnarizine metabolite M2,OC1=CC=C(C=CCN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=CC=C2)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4>[Phase I]>OC1=CC=C(C=CCN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=CC=C2)C=C1 Cinnarizine to Cinnarizine metabolite M2,NA
1547484,Cinnarizine,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4,Phase I,85667479,Cinnarizine metabolite M4,OC1=CC=C(C=C1)C(N1CCN(CC=CC2=CC=CC=C2)CC1)C1=CC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4>[Phase I]>OC1=CC=C(C=C1)C(N1CCN(CC=CC2=CC=CC=C2)CC1)C1=CC=CC=C1 Cinnarizine to Cinnarizine metabolite M4,NA
1547484,Cinnarizine,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4,Phase I,637511,Cinnamaldehyde,C1=CC=C(C=C1)/C=C/C=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4>[Phase I]>C1=CC=C(C=C1)/C=C/C=O Cinnarizine to Cinnamaldehyde,NA
1547484,Cinnarizine,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4,Phase I,3102,Benzophenone,C1=CC=C(C=C1)C(=O)C2=CC=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4>[Phase I]>C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 Cinnarizine to Benzophenone,NA
2764,Ciprofloxacin,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O,Phase I,63000,Desethylene ciprofloxacin,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCCN)F)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O>[Phase I]>C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCCN)F)C(=O)O Ciprofloxacin to Desethylene ciprofloxacin,NA
2764,Ciprofloxacin,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O,Phase II,128781,Sulfociprofloxacin,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)O)F)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O>[Phase II]>C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)O)F)C(=O)O Ciprofloxacin to Sulfociprofloxacin,NA
2764,Ciprofloxacin,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O,Phase I,128242,Oxociprofloxacin,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(=O)C4)F)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O>[Phase I]>C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(=O)C4)F)C(=O)O Ciprofloxacin to Oxociprofloxacin,NA
2764,Ciprofloxacin,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O,Phase I,4182953,Formylciprofloxacin,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C=O)F)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O>[Phase I]>C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C=O)F)C(=O)O Ciprofloxacin to Formylciprofloxacin,NA
2771,Citalopram,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,Phase I,162976,Didesmethylcitalopram,C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN)C3=CC=C(C=C3)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F>[Phase I]>C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN)C3=CC=C(C=C3)F Citalopram to Didesmethylcitalopram,NA
2771,Citalopram,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,Phase I,162180,N-Desmethylcitalopram,CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F>[Phase I]>CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F Citalopram to N-Desmethylcitalopram,NA
2771,Citalopram,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,Phase I,10068142,Citalopram-N-oxide,C[N+](C)(CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F>[Phase I]>C[N+](C)(CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)[O-] Citalopram to Citalopram-N-oxide,NA
2771,Citalopram,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,Phase I,9944000,Citalopram propionaldehyde,N#CC1=CC(COC2(C3=CC=C(F)C=C3)CCC=O)=C2C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Budău et al., Chirality, 832(1), 2020",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F>[Phase I]>N#CC1=CC(COC2(C3=CC=C(F)C=C3)CCC=O)=C2C=C1 Citalopram to Citalopram propionaldehyde,NA
2771,Citalopram,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,Phase I,10403174,Citalopram propionic acid,C1C2=C(C=CC(=C2)C#N)C(O1)(CCC(=O)O)C3=CC=C(C=C3)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F>[Phase I]>C1C2=C(C=CC(=C2)C#N)C(O1)(CCC(=O)O)C3=CC=C(C=C3)F Citalopram to Citalopram propionic acid,NA
84029,Clarithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O,Phase I,84020,14-Hydroxyclarithromycin,C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]2(C)OC)C)C)O)(C)O)C(C)O)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O)N(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O>[Phase I]>C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]2(C)OC)C)C)O)(C)O)C(C)O)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O)N(C)C Clarithromycin to 14-Hydroxyclarithromycin,NA
84029,Clarithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O,Phase I,10579285,Decladinose,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C)O)(C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wibawa et al., J. Chromatogr. B, 783(2), 2003",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C)O)(C)O Clarithromycin to Decladinose,NA
84029,Clarithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O,Phase I,3081371,Cladinose,C[C@H]([C@H]([C@](C)(CC=O)OC)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wibawa et al., J. Chromatogr. B, 783(2), 2003",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O>[Phase I]>C[C@H]([C@H]([C@](C)(CC=O)OC)O)O Clarithromycin to Cladinose,NA
84029,Clarithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O,Phase I,11072636,N-Desmethylclarithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)OC)C)C)O)(C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)OC)C)C)O)(C)O Clarithromycin to N-Desmethylclarithromycin,NA
84029,Clarithromycin,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O,Phase I,11320230,Clarithromycin-N-oxide,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[N+](C)(C)[O-])O)(C)OC)C)C)O)(C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O>[Phase I]>CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[N+](C)(C)[O-])O)(C)OC)C)C)O)(C)O Clarithromycin to Clarithromycin-N-oxide,NA
446598,Clindamycin,CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl,Phase I,73046007,Clindamycine-sulfoxide,CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)S(=O)C)O)O)O)C(C)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl>[Phase I]>CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)S(=O)C)O)O)O)C(C)Cl Clindamycin to Clindamycine-sulfoxide,NA
446598,Clindamycin,CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl,Phase II,169502194,Clindamycin-glucuronide,CCC[C@@H]1C[C@@H](C(N[C@H]([C@@H](Cl)C)[C@@H]2[C@H](O)[C@H](O)[C@@H](OC3OC(C(O)=O)C(O)C(O)C3O)[C@@H](SC)O2)=O)N(C)C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl>[Phase II]>CCC[C@@H]1C[C@@H](C(N[C@H]([C@@H](Cl)C)[C@@H]2[C@H](O)[C@H](O)[C@@H](OC3OC(C(O)=O)C(O)C(O)C3O)[C@@H](SC)O2)=O)N(C)C1 Clindamycin to Clindamycin-glucuronide,NA
446598,Clindamycin,CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl,Phase I,139595202,N-Desmethylclindamycin,CCCC1CC(NC1)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl>[Phase I]>CCCC1CC(NC1)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl Clindamycin to N-Desmethylclindamycin,NA
10783,Clomethiazole,CC1=C(SC=N1)CCCl,Phase I,5487033,"4,5-Dimethylthiazole-N-oxide-S-oxide",CC1=C(S(=O)C=[N+]1[O-])C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wilby and Hutchinson, CNS Drug Reviews, 10(4), 2004",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC1=C(SC=N1)CCCl>[Phase I]>CC1=C(S(=O)C=[N+]1[O-])C Clomethiazole to 4,5-Dimethylthiazole-N-oxide-S-oxide",NA
10783,Clomethiazole,CC1=C(SC=N1)CCCl,Phase I,162292,5-Acetyl-4-methylthiazole (NLA 511),CC1=C(SC=N1)C(=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wilby and Hutchinson, CNS Drug Reviews, 10(4), 2004",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(SC=N1)CCCl>[Phase I]>CC1=C(SC=N1)C(=O)C Clomethiazole to 5-Acetyl-4-methylthiazole (NLA 511),NA
10783,Clomethiazole,CC1=C(SC=N1)CCCl,Phase I,581758,5-(1-Hydroxyethyl)-4-methylthiazole (NLA 272),CC1=C(SC=N1)C(C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wilby and Hutchinson, CNS Drug Reviews, 10(4), 2004",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(SC=N1)CCCl>[Phase I]>CC1=C(SC=N1)C(C)O Clomethiazole to 5-(1-Hydroxyethyl)-4-methylthiazole (NLA 272),NA
10783,Clomethiazole,CC1=C(SC=N1)CCCl,Phase I,581759,5-(1-Hydroxy-2-chloroethyl)-4-methylthiazole (NLA 715),CC1=C(C(O)CCl)SC=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wilby and Hutchinson, CNS Drug Reviews, 10(4), 2004",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(SC=N1)CCCl>[Phase I]>CC1=C(C(O)CCl)SC=N1 Clomethiazole to 5-(1-Hydroxy-2-chloroethyl)-4-methylthiazole (NLA 715),NA
2801,Clomipramine,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,Phase I + II,165361770,2-Hydroxydesmethylclomipramine-glucuronide,CNCCCN1C2=C(CCC3=C1C=C(Cl)C(O)=C3)C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl>[Phase I + II]>CNCCCN1C2=C(CCC3=C1C=C(Cl)C(O)=C3)C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=CC=C2 Clomipramine to 2-Hydroxydesmethylclomipramine-glucuronide,NA
2801,Clomipramine,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,Phase I + II,169502114,8-Hydroxydesmethylclomipramine-glucuronide,CNCCCN1C2=C(CCC3=C1C=C(Cl)C=C3)C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=C(O)C=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl>[Phase I + II]>CNCCCN1C2=C(CCC3=C1C=C(Cl)C=C3)C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=C(O)C=C2 Clomipramine to 8-Hydroxydesmethylclomipramine-glucuronide,NA
2801,Clomipramine,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,Phase I + II,165361827,2-Hydroxyclomipramine-glucuronide,CN(C)CCCN1C2=C(CCC3=C1C=C(Cl)C(O)=C3)C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl>[Phase I + II]>CN(C)CCCN1C2=C(CCC3=C1C=C(Cl)C(O)=C3)C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=CC=C2 Clomipramine to 2-Hydroxyclomipramine-glucuronide,NA
2801,Clomipramine,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,Phase I + II,169502171,8-Hydroxyclomipramine-glucuronide,CN(C)CCCN1C2=C(CCC3=C1C=CC(O)=C3O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=CC(Cl)=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl>[Phase I + II]>CN(C)CCCN1C2=C(CCC3=C1C=CC(O)=C3O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=CC(Cl)=C2 Clomipramine to 8-Hydroxyclomipramine-glucuronide,NA
2801,Clomipramine,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,Phase I,91617717,2-Hydroxydesmethylclomipramine,CNCCCN1C2=CC=CC=C2CCC3=CC(=C(C=C31)Cl)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl>[Phase I]>CNCCCN1C2=CC=CC=C2CCC3=CC(=C(C=C31)Cl)O Clomipramine to 2-Hydroxydesmethylclomipramine,NA
2801,Clomipramine,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,Phase I,10018695,8-Hydroxydesmethylclomipramine,CNCCCN1C2=C(CCC3=C1C=C(C=C3)Cl)C=C(C=C2)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl>[Phase I]>CNCCCN1C2=C(CCC3=C1C=C(C=C3)Cl)C=C(C=C2)O Clomipramine to 8-Hydroxydesmethylclomipramine,NA
2801,Clomipramine,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,Phase I,154699866,10-Hydroxyclomipramine,CN(C)CCCN1C2=CC=CC=C2C(CC3=C1C=C(C=C3)Cl)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl>[Phase I]>CN(C)CCCN1C2=CC=CC=C2C(CC3=C1C=C(C=C3)Cl)O Clomipramine to 10-Hydroxyclomipramine,NA
2801,Clomipramine,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,Phase I,10246110,2-Hydroxyclomipramine,CN(C)CCCN1C2=CC=CC=C2CCC3=CC(=C(C=C31)Cl)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl>[Phase I]>CN(C)CCCN1C2=CC=CC=C2CCC3=CC(=C(C=C31)Cl)O Clomipramine to 2-Hydroxyclomipramine,NA
2801,Clomipramine,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,Phase I,11724232,8-Hydroxyclomipramine,CN(C)CCCN1C2=C(CCC3=C1C=C(C=C3)Cl)C=C(C=C2)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl>[Phase I]>CN(C)CCCN1C2=C(CCC3=C1C=C(C=C3)Cl)C=C(C=C2)O Clomipramine to 8-Hydroxyclomipramine,NA
2801,Clomipramine,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,Phase I,3085253,Didesmethylclomipramine,C1CC2=CC=CC=C2N(C3=C1C=CC(=C3)Cl)CCCN,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl>[Phase I]>C1CC2=CC=CC=C2N(C3=C1C=CC(=C3)Cl)CCCN Clomipramine to Didesmethylclomipramine,NA
2801,Clomipramine,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,Phase I,622606,Desmethylclomipramine,CNCCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl>[Phase I]>CNCCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl Clomipramine to Desmethylclomipramine,NA
2801,Clomipramine,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,Phase I,134222,9-Hydroxyclomipramine,CN(C)CCCN1C2=C(CCC3=C1C=C(C=C3)Cl)C(=CC=C2)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl>[Phase I]>CN(C)CCCN1C2=C(CCC3=C1C=C(C=C3)Cl)C(=CC=C2)O Clomipramine to 9-Hydroxyclomipramine,NA
2801,Clomipramine,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,Phase I,29976360,Clomipramine-N-oxide,C[N+](C)(CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl>[Phase I]>C[N+](C)(CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl)[O-] Clomipramine to Clomipramine-N-oxide,NA
60606,Clopidogrel,COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3,Phase I,9861403,Clopidogrel carboxylic acid derivative,C1C[NH+](CC2=C1SC=C2)[C@@H](C3=CC=CC=C3Cl)C(=O)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3>[Phase I]>C1C[NH+](CC2=C1SC=C2)[C@@H](C3=CC=CC=C3Cl)C(=O)[O-] Clopidogrel to Clopidogrel carboxylic acid derivative,NA
60606,Clopidogrel,COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3,Phase I,56848893,2-Oxoclopidogrel,COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3C(=CC(=O)S3)C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3>[Phase I]>COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3C(=CC(=O)S3)C2 Clopidogrel to 2-Oxoclopidogrel,NA
60606,Clopidogrel,COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3,Phase II,96359892,Clopidogrel-acyl-glucuoronide,O=C([C@@H](N1CCC2=C(C=CS2)C1)C3=CC=CC=C3Cl)O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Savu et al., Drug Metab. Dispos., 44(9), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3>[Phase II]>O=C([C@@H](N1CCC2=C(C=CS2)C1)C3=CC=CC=C3Cl)O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4 Clopidogrel to Clopidogrel-acyl-glucuoronide,NA
60606,Clopidogrel,COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3,Phase I,165361851,Clopidogrel endo thiol metabolite,COC(=O)[C@@H](N1CCC(S)=C(CC(O)=O)C1)C1=CC=CC=C1Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3>[Phase I]>COC(=O)[C@@H](N1CCC(S)=C(CC(O)=O)C1)C1=CC=CC=C1Cl Clopidogrel to Clopidogrel endo thiol metabolite,NA
60606,Clopidogrel,COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3,Phase I,169501831,Thiol active metabolite,COC(=O)[C@H](C1CCCCC1Cl)N1CCC(/C(=C\C(=O)O)/C1)S,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Savu et al., Drug Metab. Dispos., 44(9), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3>[Phase I]>COC(=O)[C@H](C1CCCCC1Cl)N1CCC(/C(=C\C(=O)O)/C1)S Clopidogrel to Thiol active metabolite,NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I,19418676,7-Hydroxyclozapine (M6),CN1CCN(C2=NC3=C(NC4=CC=CC=C42)C=C(O)C(Cl)=C3)CC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Dragovic et al., Drug Metab. Dispos., 41(3), 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I]>CN1CCN(C2=NC3=C(NC4=CC=CC=C42)C=C(O)C(Cl)=C3)CC1 Clozapine to 7-Hydroxyclozapine (M6),NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I,101784622,9-Hydroxyclozapine (M7),CN1CCN(C2=NC3=C(NC4=CC=CC=C42)C=CC(Cl)=C3O)CC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Dragovic et al., Drug Metab. Dispos., 41(3), 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I]>CN1CCN(C2=NC3=C(NC4=CC=CC=C42)C=CC(Cl)=C3O)CC1 Clozapine to 9-Hydroxyclozapine (M7),NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I + II,101997599,7-Hydroxyclozapine-sulfate,CN1CCN(CC1)C2=NC3=C(C=C(C(Cl)=C3)OS(O)(=O)=O)NC4=CC=CC=C42,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Schaber et al., Drug metab. Dispos., 29(6), 2001",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I + II]>CN1CCN(CC1)C2=NC3=C(C=C(C(Cl)=C3)OS(O)(=O)=O)NC4=CC=CC=C42 Clozapine to 7-Hydroxyclozapine-sulfate,NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I + II,101997600,N-Desmethylclozapine-7-hydroxy-sulfate,ClC1=CC(N=C2N3CCNCC3)=C(NC4=CC=CC=C42)C=C1OS(O)(=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Schaber et al., Drug metab. Dispos., 29(6), 2001",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I + II]>ClC1=CC(N=C2N3CCNCC3)=C(NC4=CC=CC=C42)C=C1OS(O)(=O)=O Clozapine to N-Desmethylclozapine-7-hydroxy-sulfate,NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase II,131769989,Clozapine-glucuronide,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)N(C4=CC=CC=C42)[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase II]>CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)N(C4=CC=CC=C42)[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O Clozapine to Clozapine-glucuronide,NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I,135409468,Norclozapine (N-desmethylclozapine) (M2),C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I]>C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42 Clozapine to Norclozapine (N-desmethylclozapine) (M2),NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I,135445691,Clozapine-N-oxide (M1),C[N+]1(CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I]>C[N+]1(CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)[O-] Clozapine to Clozapine-N-oxide (M1),NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I,135508767,8-Hydroxyclozapine,CN1CCN(C2=NC3=C(NC4=CC=CC=C42)C=CC(O)=C3)CC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Dragovic et al., Drug Metab. Dispos., 41(3), 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I]>CN1CCN(C2=NC3=C(NC4=CC=CC=C42)C=CC(O)=C3)CC1 Clozapine to 8-Hydroxyclozapine,NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I,135524869,Clozapine metabolite M3,CNCCNC1=NC2=C(NC3=CC=CC=C31)C=CC(Cl)=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Dragovic et al., Drug Metab. Dispos., 41(3), 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I]>CNCCNC1=NC2=C(NC3=CC=CC=C31)C=CC(Cl)=C2 Clozapine to Clozapine metabolite M3,NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I + II,136728535,6-Hydroxyclozapine-sulfate,CN1CCN(CC1)C2=NC3=C(C(OS(=O)(O)=O)=CC(Cl)=C3)NC4=CC=CC=C42,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Schaber et al., Drug metab. Dispos., 29(6), 2001",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I + II]>CN1CCN(CC1)C2=NC3=C(C(OS(=O)(O)=O)=CC(Cl)=C3)NC4=CC=CC=C42 Clozapine to 6-Hydroxyclozapine-sulfate,NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I,136961848,Clozapine metabolite M4,NCCNC1=NC2=C(NC3=CC=CC=C31)C=CC(Cl)=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Dragovic et al., Drug Metab. Dispos., 41(3), 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I]>NCCNC1=NC2=C(NC3=CC=CC=C31)C=CC(Cl)=C2 Clozapine to Clozapine metabolite M4,NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I + II,169501809,9-Hydroxyclozapine-sulfate,CN1CCN(CC1)C2=NC3=C(C=CC(Cl)=C3OS(O)(=O)=O)NC4=CC=CC=C42,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Schaber et al., Drug metab. Dispos., 29(6), 2001",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I + II]>CN1CCN(CC1)C2=NC3=C(C=CC(Cl)=C3OS(O)(=O)=O)NC4=CC=CC=C42 Clozapine to 9-Hydroxyclozapine-sulfate,NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I + II,169501970,Clozapine-N-glucuronide,ClC1=CC2=C(NC3=CC=CC=C3C(N4CCN(C5([H])[C@@](O)([H])[C@](O)([H])[C@@](O)([H])[C@@](O5)([H])C(O)=O)CC4)=N2)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Schaber et al., Drug metab. Dispos., 29(6), 2001",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I + II]>ClC1=CC2=C(NC3=CC=CC=C3C(N4CCN(C5([H])[C@@](O)([H])[C@](O)([H])[C@@](O)([H])[C@@](O5)([H])C(O)=O)CC4)=N2)C=C1 Clozapine to Clozapine-N-glucuronide,NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I + II,169502066,8-Hydroxyclozapine-glucuronide,O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C(OC2=CC3=C(C=C2)NC4=CC=CC=C4C(N(CC5)CCN5C)=N3)O1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Schaber et al., Drug metab. Dispos., 29(6), 2001",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I + II]>O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C(OC2=CC3=C(C=C2)NC4=CC=CC=C4C(N(CC5)CCN5C)=N3)O1 Clozapine to 8-Hydroxyclozapine-glucuronide,NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I + II,169502258,7-Hydroxyclozapine-glucoronide,O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C(OC(C(Cl)=C2)=CC(NC3=CC=CC=C34)=C2N=C4N(CC5)CCN5C)O1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Schaber et al., Drug metab. Dispos., 29(6), 2001",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I + II]>O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C(OC(C(Cl)=C2)=CC(NC3=CC=CC=C34)=C2N=C4N(CC5)CCN5C)O1 Clozapine to 7-Hydroxyclozapine-glucoronide,NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I + II,169502259,Clozapine-N-hydroxy-O-glucuronide,ClC1=CC2=C(C=C1)NC3=CC=CC=C3C(N(CC4)CCN4OC(O5)[C@H](O)[C@@H](O)[C@H](O)[C@H]5C(O)=O)=N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Schaber et al., Drug metab. Dispos., 29(6), 2001",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I + II]>ClC1=CC2=C(C=C1)NC3=CC=CC=C3C(N(CC4)CCN4OC(O5)[C@H](O)[C@@H](O)[C@H](O)[C@H]5C(O)=O)=N2 Clozapine to Clozapine-N-hydroxy-O-glucuronide,NA
135398737,Clozapine,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,Phase I,169502279,6-Hydroxyclozapine,CN1CCN(C2=NC3=C(NC4=CC=CC=C42)C(O)=CC(Cl)=C3)CC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Dragovic et al., Drug Metab. Dispos., 41(3), 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42>[Phase I]>CN1CCN(C2=NC3=C(NC4=CC=CC=C42)C(O)=CC(Cl)=C3)CC1 Clozapine to 6-Hydroxyclozapine,NA
25151504,Cobicistat,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5,Phase I,169502057,Cobicistat metabolite M16,CNC(N[C@H](C(N[C@@H](CC1=CC=CC=C1)CC[C@@H](N)CC2=CC=CC=C2)=O)CCN3CCOCC3)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wang et al., Drug Metab. Lett., 10(2), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5>[Phase I]>CNC(N[C@H](C(N[C@@H](CC1=CC=CC=C1)CC[C@@H](N)CC2=CC=CC=C2)=O)CCN3CCOCC3)=O Cobicistat to Cobicistat metabolite M16,NA
25151504,Cobicistat,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5,Phase I,169502231,Cobicistat metabolite M4,CC(C1=NC(CN(C(N[C@H](C(N[C@@H](CC2=CC=CC=C2)CC[C@@H](N)CC3=CC=CC=C3)=O)CCN4CCOCC4)=O)C)=CS1)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wang et al., Drug Metab. Lett., 10(2), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5>[Phase I]>CC(C1=NC(CN(C(N[C@H](C(N[C@@H](CC2=CC=CC=C2)CC[C@@H](N)CC3=CC=CC=C3)=O)CCN4CCOCC4)=O)C)=CS1)CO Cobicistat to Cobicistat metabolite M4,NA
25151504,Cobicistat,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5,Phase I,68042342,Cobicistat metabolite M2,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)N)CC4=CC=CC=C4,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wang et al., Drug Metab. Lett., 10(2), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5>[Phase I]>CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)N)CC4=CC=CC=C4 Cobicistat to Cobicistat metabolite M2,NA
25151504,Cobicistat,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5,Phase I,169502262,Cobicistat metabolite M15,CNC(N[C@H](C(N[C@@H](CC1=CC=CC=C1)CC[C@@H](NC(OCC2=CN=CS2)=O)CC3=CC=CC=C3)=O)CCNCCO)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wang et al., Drug Metab. Lett., 10(2), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5>[Phase I]>CNC(N[C@H](C(N[C@@H](CC1=CC=CC=C1)CC[C@@H](NC(OCC2=CN=CS2)=O)CC3=CC=CC=C3)=O)CCNCCO)=O Cobicistat to Cobicistat metabolite M15,NA
25151504,Cobicistat,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5,Phase I,53694701,Cobicistat metabolite M2-1,OC(CNC(C1=CN=CS1)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wang et al., Drug Metab. Lett., 10(2), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5>[Phase I]>OC(CNC(C1=CN=CS1)=O)=O Cobicistat to Cobicistat metabolite M2-1,NA
25151504,Cobicistat,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5,Phase I,59414269,Cobicistat metabolite M9,CNC(=O)N[C@@H](CCN1CCOCC1)C(=O)N[C@H](CC[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)CC4=CC=CC=C4,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wang et al., Drug Metab. Lett., 10(2), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5>[Phase I]>CNC(=O)N[C@@H](CCN1CCOCC1)C(=O)N[C@H](CC[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)CC4=CC=CC=C4 Cobicistat to Cobicistat metabolite M9,NA
25151504,Cobicistat,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5,Phase I,169502007,Cobicistat metabolite M1,CC(C1=NC(CN(C(N[C@H](C(N[C@@H](CC2=CC=CC=C2)CC[C@@H](NC(OCC3=CN=CS3)=O)CC4=CC=CC=C4)=O)CCN5CCOCC5)=O)C)=CS1)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wang et al., Drug Metab. Lett., 10(2), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5>[Phase I]>CC(C1=NC(CN(C(N[C@H](C(N[C@@H](CC2=CC=CC=C2)CC[C@@H](NC(OCC3=CN=CS3)=O)CC4=CC=CC=C4)=O)CCN5CCOCC5)=O)C)=CS1)CO Cobicistat to Cobicistat metabolite M1,NA
25151504,Cobicistat,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5,Phase I,112640743,Cobicistat metabolite M2-2,CC(NC(CSCC1=CN=CS1)C(O)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wang et al., Drug Metab. Lett., 10(2), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5>[Phase I]>CC(NC(CSCC1=CN=CS1)C(O)=O)=O Cobicistat to Cobicistat metabolite M2-2,NA
25151504,Cobicistat,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5,Phase I,59414275,Cobicistat metabolite M3,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCNCCO)C(=O)N[C@H](CC[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)CC4=CC=CC=C4,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wang et al., Drug Metab. Lett., 10(2), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5>[Phase I]>CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCNCCO)C(=O)N[C@H](CC[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)CC4=CC=CC=C4 Cobicistat to Cobicistat metabolite M3,NA
25151504,Cobicistat,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5,Phase I,69479782,Cobicistat metabolite M9.1,CC(C)C1=NC(=CS1)C(=O)NCC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wang et al., Drug Metab. Lett., 10(2), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5>[Phase I]>CC(C)C1=NC(=CS1)C(=O)NCC(=O)O Cobicistat to Cobicistat metabolite M9.1,NA
25151504,Cobicistat,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5,Phase I,133682299,Cobicistat metabolite M9.2,CC(C)C1=NC(=CS1)/C=N/OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wang et al., Drug Metab. Lett., 10(2), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5>[Phase I]>CC(C)C1=NC(=CS1)/C=N/OC Cobicistat to Cobicistat metabolite M9.2,NA
5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,0,5288826,Morphine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O>[0]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O Codeine to Morphine,NA
5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,"Phase I + II, Phase II",5360621,Morphine-6-glucuronide,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O>[Phase I + II, Phase II]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O Codeine to Morphine-6-glucuronide",NA
5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,Phase I,5362459,Morphine-N-Oxide,C[N+]1(CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O>[Phase I]>C[N+]1(CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)[O-] Codeine to Morphine-N-Oxide,NA
5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,Phase II,5462507,6-Acetylmorphine,CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O>[Phase II]>CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C Codeine to 6-Acetylmorphine,NA
5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,Phase I,5462508,Normorphine,C1CN[C@@H]2CC3=C4[C@@]15[C@H]2C=C[C@@H]([C@@H]5OC4=C(C=C3)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O>[Phase I]>C1CN[C@@H]2CC3=C4[C@@]15[C@H]2C=C[C@@H]([C@@H]5OC4=C(C=C3)O)O Codeine to Normorphine,NA
5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,"Phase I + II, Phase II",5484063,Morphine-6-sulfate,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(O[C@H]3[C@@H](OS(=O)(O)=O)C=C4)=C(O)C=C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O>[Phase I + II, Phase II]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(O[C@H]3[C@@H](OS(=O)(O)=O)C=C4)=C(O)C=C5 Codeine to Morphine-6-sulfate",NA
5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,"Phase I + II, Phase II",5484731,Morphine-3-glucuronide,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O[C@H]3[C@H](C=C4)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O>[Phase I + II, Phase II]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O[C@H]3[C@H](C=C4)O Codeine to Morphine-3-glucuronide",NA
5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,Phase I + II,5489029,Codeine-6-glucuronide,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O>[Phase I + II]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O Codeine to Codeine-6-glucuronide,NA
5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,Phase I + II,5492315,Normorphine-6-glucuronide,OC(C=C1)=C(O[C@H]2[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O3)C=C4)C5=C1C[C@@H]6[C@H]4[C@@]52CCN6,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Bachs, Impairment and traffic accident risk related to opioid use in Norway, 2010",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O>[Phase I + II]>OC(C=C1)=C(O[C@H]2[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O3)C=C4)C5=C1C[C@@H]6[C@H]4[C@@]52CCN6 Codeine to Normorphine-6-glucuronide,NA
5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,Phase I,9925873,Norcodeine (N-desmethylcodeine),COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O>[Phase I]>COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O)C=C1 Codeine to Norcodeine (N-desmethylcodeine),NA
5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,"Phase I + II, Phase II",11814263,"Morphine-3,6-diglucuronide",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(O[C@H]3[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O6)C=C4)=C(O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O7)C=C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Bachs, Impairment and traffic accident risk related to opioid use in Norway, 2010",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O>[Phase I + II, Phase II]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(O[C@H]3[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O6)C=C4)=C(O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O7)C=C5 Codeine to Morphine-3,6-diglucuronide",NA
5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,"Phase I + II, Phase II",18666969,Morphine-3-sulfate,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(O[C@H]3[C@@H](O)C=C4)=C(OS(=O)(O)=O)C=C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O>[Phase I + II, Phase II]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(O[C@H]3[C@@H](O)C=C4)=C(OS(=O)(O)=O)C=C5 Codeine to Morphine-3-sulfate",NA
5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,"Phase I + II, Phase II",50940757,Morphine-ethereal-sulfate,[H][C@@]12OC3=C(C=CC4=C3[C@@]15CCN([C@](C4)([C@@]5(C=C[C@@H]2OS(O)(=O)=O)[H])[H])C)OS(O)(=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O>[Phase I + II, Phase II]>[H][C@@]12OC3=C(C=CC4=C3[C@@]15CCN([C@](C4)([C@@]5(C=C[C@@H]2OS(O)(=O)=O)[H])[H])C)OS(O)(=O)=O Codeine to Morphine-ethereal-sulfate",NA
5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,Phase I + II,71751177,Norcodeine-6-glucuronide,COC(C=C1)=C(O[C@H]2[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O3)C=C4)C5=C1C[C@@H]6[C@H]4[C@@]52CCN6,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O>[Phase I + II]>COC(C=C1)=C(O[C@H]2[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O3)C=C4)C5=C1C[C@@H]6[C@H]4[C@@]52CCN6 Codeine to Norcodeine-6-glucuronide,NA
5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,Phase I + II,101610589,Normorphine-3-glucuronide,O=C(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C=C2)=C(O[C@H]3[C@@H](O)C=C4)C5=C2C[C@@H]6[C@H]4[C@@]53CCN6,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Bachs, Impairment and traffic accident risk related to opioid use in Norway, 2010",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O>[Phase I + II]>O=C(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C=C2)=C(O[C@H]3[C@@H](O)C=C4)C5=C2C[C@@H]6[C@H]4[C@@]53CCN6 Codeine to Normorphine-3-glucuronide,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,169502227,Dabigatran metabolite M690,CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(=O)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)NC(N)=O)C1=NC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(=O)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)NC(N)=O)C1=NC=CC=C1 Dabigatran Etexilate to Dabigatran metabolite M690,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,169501858,Dabigatran metabolite M636,CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(=O)OCC(O)C(O)C(O)C(O)CO)C1=NC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(=O)OCC(O)C(O)C(O)C(O)CO)C1=NC=CC=C1 Dabigatran Etexilate to Dabigatran metabolite M636,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase II,169502233,Dabigatran-2-O-acyl-glucuronide ,CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(=O)OC1C(O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O)C1=NC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase II]>CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(=O)OC1C(O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O)C1=NC=CC=C1 Dabigatran Etexilate to Dabigatran-2-O-acyl-glucuronide ,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase II,169501828,Dabigatran-1-O-acyl-glucuronide ,CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(=O)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=NC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase II]>CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(=O)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=NC=CC=C1 Dabigatran Etexilate to Dabigatran-1-O-acyl-glucuronide ,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase II,169501938,Dabigatran-3-O-acyl-glucuronide,CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(=O)OC1[C@@H](O)C(O)O[C@@H]([C@H]1O)C(O)=O)C1=NC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase II]>CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(=O)OC1[C@@H](O)C(O)O[C@@H]([C@H]1O)C(O)=O)C1=NC=CC=C1 Dabigatran Etexilate to Dabigatran-3-O-acyl-glucuronide,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase II,169502085,Dabigatran-4-O-acyl-glucuronide ,CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(=O)OC1[C@H](O)[C@@H](O)C(O)O[C@@H]1C(O)=O)C1=NC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase II]>CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(=O)OC1[C@H](O)[C@@H](O)C(O)O[C@@H]1C(O)=O)C1=NC=CC=C1 Dabigatran Etexilate to Dabigatran-4-O-acyl-glucuronide ,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,169501877,Dabigatran metabolite M500,CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)OC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)OC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O Dabigatran Etexilate to Dabigatran metabolite M500,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,144920619,Dabigatran metabolite M354,CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CN,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CN Dabigatran Etexilate to Dabigatran metabolite M354,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,69624070,Dabigatran metabolite M324 (BIBR1151),CN1C2=C(C=C(C=C2)C(=O)O)N=C1CNC3=CC=C(C=C3)C(=N)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CN1C2=C(C=C(C=C2)C(=O)O)N=C1CNC3=CC=C(C=C3)C(=N)N Dabigatran Etexilate to Dabigatran metabolite M324 (BIBR1151),NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,18412517,Dabigatran metabolite M486-2,CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N Dabigatran Etexilate to Dabigatran metabolite M486-2,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,216210,Dabigatran,CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N Dabigatran Etexilate to Dabigatran,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,141348660,Dabigatran metabolite M400,CN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N Dabigatran Etexilate to Dabigatran metabolite M400,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,446804,"Dabigatran-ethyl ester (metabolite M2, BIBR0951)",CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C Dabigatran Etexilate to Dabigatran-ethyl ester (metabolite M2, BIBR0951)",NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,146675109,Dabigatran metabolite M396,CC(=O)NCC1=NC2=C(N1C)C=CC(=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CC(=O)NCC1=NC2=C(N1C)C=CC(=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3 Dabigatran Etexilate to Dabigatran metabolite M396,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,169501827,Dabigatran metabolite M486,CN1C2=C(C=C(C=C2)C(=O)N(CCC(O)=O)C2=NC=CC=C2)N=C1C(=O)NC1=CC=C(C=C1)C(N)=N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CN1C2=C(C=C(C=C2)C(=O)N(CCC(O)=O)C2=NC=CC=C2)N=C1C(=O)NC1=CC=C(C=C1)C(N)=N Dabigatran Etexilate to Dabigatran metabolite M486,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,169501783,Dabigatran metabolite M574,CN1C(CNC2=CC=C(C=C2)C(=N)NC(=O)OCC(O)=O)=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C1=NC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CN1C(CNC2=CC=C(C=C2)C(=N)NC(=O)OCC(O)=O)=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C1=NC=CC=C1 Dabigatran Etexilate to Dabigatran metabolite M574,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,146675101,Dabigatran metabolite M355,CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CO Dabigatran Etexilate to Dabigatran metabolite M355,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,169502123,Dabigatran metabolite M602,CN1C(CNC2=CC=C(C=C2)C(=N)NC(=O)OCCCC(O)=O)=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C1=NC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CN1C(CNC2=CC=C(C=C2)C(=N)NC(=O)OCCCC(O)=O)=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C1=NC=CC=C1 Dabigatran Etexilate to Dabigatran metabolite M602,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,156596423,Dabigatran metabolite M325,CN1C=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C1=NC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CN1C=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C1=NC=CC=C1 Dabigatran Etexilate to Dabigatran metabolite M325,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,156028097,Dabigatran metabolite M369,CN1C(=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C1=NC=CC=C1)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CN1C(=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C1=NC=CC=C1)C(O)=O Dabigatran Etexilate to Dabigatran metabolite M369,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,169502044,Dabigatran metabolite M630,CN1C(CNC2=CC=C(C=C2)C(=N)NC(=O)OCCCCCC(O)=O)=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C1=NC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CN1C(CNC2=CC=C(C=C2)C(=N)NC(=O)OCCCCCC(O)=O)=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C1=NC=CC=C1 Dabigatran Etexilate to Dabigatran metabolite M630,NA
213023,Dabigatran Etexilate,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4,Phase I,10290289,"Desethyldabigatran etexilate (metabolite M1, BIBR1087)",CCCCCCOC(=O)/N=C(/C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)O)C4=CC=CC=N4)\N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4>[Phase I]>CCCCCCOC(=O)/N=C(/C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)O)C4=CC=CC=N4)\N Dabigatran Etexilate to Desethyldabigatran etexilate (metabolite M1, BIBR1087)",NA
213039,Darunavir,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N,Phase I,9888792,"Darunavir metabolite 19, R374699",CC(CN(S(=O)(C1=CC=C(N)C=C1)=O)C[C@@H](O)[C@@H](N)CC2=CC=CC=C2)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N>[Phase I]>CC(CN(S(=O)(C1=CC=C(N)C=C1)=O)C[C@@H](O)[C@@H](N)CC2=CC=CC=C2)C Darunavir to Darunavir metabolite 19, R374699",NA
213039,Darunavir,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N,Phase I,16729878,"Darunavir metabolite 33, R330689",CC(CN(S(=O)(C1=CC=C(N)C=C1)=O)C[C@@H](O)[C@@H](NC(O[C@H]2CO[C@@H]3[C@H]2CCO3)=O)CC4=CC=C(O)C=C4)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N>[Phase I]>CC(CN(S(=O)(C1=CC=C(N)C=C1)=O)C[C@@H](O)[C@@H](NC(O[C@H]2CO[C@@H]3[C@H]2CCO3)=O)CC4=CC=C(O)C=C4)C Darunavir to Darunavir metabolite 33, R330689",NA
213039,Darunavir,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N,Phase I,66890891,Darunavir metabolite 15,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)N)O)S(=O)(C2=CC=C(C(O)=C2)N)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N>[Phase I]>CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)N)O)S(=O)(C2=CC=C(C(O)=C2)N)=O Darunavir to Darunavir metabolite 15,NA
213039,Darunavir,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N,Phase I,71748962,"Hydroxydarunavir (metabolite 23, R426857)",CC(C)(CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N>[Phase I]>CC(C)(CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N)O Darunavir to Hydroxydarunavir (metabolite 23, R426857)",NA
213039,Darunavir,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N,Phase I,129627311,"3'-Hydroxydarunavir (metabolite 29, R330326)",CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC(=C(C=C4)N)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N>[Phase I]>CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC(=C(C=C4)N)O Darunavir to 3'-Hydroxydarunavir (metabolite 29, R330326)",NA
213039,Darunavir,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N,Phase I,139593398,"Darunavir metabolite 6, R426855",CC(C)(CN(C[C@H]([C@H](CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,"CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N>[Phase I]>CC(C)(CN(C[C@H]([C@H](CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N)O Darunavir to Darunavir metabolite 6, R426855",NA
213039,Darunavir,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N,Phase I + II,169501811,Darunavir metabolite 11,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)N)O)S(=O)(C2=CC=C(C(OC3C(O)C(O)C(O)C(C(O)=O)O3)=C2)N)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N>[Phase I + II]>CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)N)O)S(=O)(C2=CC=C(C(OC3C(O)C(O)C(O)C(C(O)=O)O3)=C2)N)=O Darunavir to Darunavir metabolite 11,NA
213039,Darunavir,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N,Phase I + II,169501945,Darunavir metabolite 17,CC(CN(S(=O)(C1=CC=C(N)C(OC2OC(C(O)=O)C(O)C(O)C2O)=C1)=O)C[C@@H](O)[C@@H](NC(O[C@H]3CO[C@@H]4[C@H]3CCO4)=O)CC5=CC=CC=C5)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N>[Phase I + II]>CC(CN(S(=O)(C1=CC=C(N)C(OC2OC(C(O)=O)C(O)C(O)C2O)=C1)=O)C[C@@H](O)[C@@H](NC(O[C@H]3CO[C@@H]4[C@H]3CCO4)=O)CC5=CC=CC=C5)C Darunavir to Darunavir metabolite 17,NA
213039,Darunavir,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N,Phase II,169502097,Darunavir metabolite 20,CC(CN(S(=O)(C1=CC=C(N)C=C1)=O)C[C@@H](OC2C(O)C(O)[C@H](O)C(C(O)=O)O2)[C@@H](NC(O[C@H]3CO[C@@H]4[C@H]3CCO4)=O)CC5=CC=CC=C5)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N>[Phase II]>CC(CN(S(=O)(C1=CC=C(N)C=C1)=O)C[C@@H](OC2C(O)C(O)[C@H](O)C(C(O)=O)O2)[C@@H](NC(O[C@H]3CO[C@@H]4[C@H]3CCO4)=O)CC5=CC=CC=C5)C Darunavir to Darunavir metabolite 20,NA
213039,Darunavir,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N,Phase II,169502234,Darunavir metabolite 18,CC(CN(S(=O)(C1=CC=C(NC2OC(C(O)=O)C(O)C(O)C2O)C=C1)=O)C[C@@H](O)[C@@H](NC(O[C@H]3CO[C@@H]4[C@H]3CCO4)=O)CC5=CC=CC=C5)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N>[Phase II]>CC(CN(S(=O)(C1=CC=C(NC2OC(C(O)=O)C(O)C(O)C2O)C=C1)=O)C[C@@H](O)[C@@H](NC(O[C@H]3CO[C@@H]4[C@H]3CCO4)=O)CC5=CC=CC=C5)C Darunavir to Darunavir metabolite 18,NA
39912,Dexibuprofen,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O,Phase II,163959,Ibuprofen-acyl-glucuronide,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O>[Phase II]>CC(C)CC1=CC=C(C=C1)C(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O Dexibuprofen to Ibuprofen-acyl-glucuronide,NA
39912,Dexibuprofen,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O,Phase I,10443535,2-Hydroxyibuprofen,CC(C1=CC=C(C=C1)CC(C)(C)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O>[Phase I]>CC(C1=CC=C(C=C1)CC(C)(C)O)C(=O)O Dexibuprofen to 2-Hydroxyibuprofen,NA
39912,Dexibuprofen,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O,Phase I,71312545,3-Hydroxyibuprofen,CC(CO)CC1=CC=C(C=C1)C(C)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O>[Phase I]>CC(CO)CC1=CC=C(C=C1)C(C)C(O)=O Dexibuprofen to 3-Hydroxyibuprofen,NA
39912,Dexibuprofen,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O,Phase I,45117195,1-Hydroxyibuprofen,CC(C)C(C1=CC=C(C=C1)C(C)C(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O>[Phase I]>CC(C)C(C1=CC=C(C=C1)C(C)C(=O)O)O Dexibuprofen to 1-Hydroxyibuprofen,NA
39912,Dexibuprofen,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O,Phase I,10444113,2-Carboxyibuprofen,CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O>[Phase I]>CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O Dexibuprofen to 2-Carboxyibuprofen,NA
39912,Dexibuprofen,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O,Phase I,10444113,Ibuprofen carboxylic acid,CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O>[Phase I]>CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O Dexibuprofen to Ibuprofen carboxylic acid,NA
39912,Dexibuprofen,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O,Phase I,3632255,3-Carboxyibuprofen,CC(C)CC1=CC=C(C=C1)C(CC(=O)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O>[Phase I]>CC(C)CC1=CC=C(C=C1)C(CC(=O)O)C(=O)O Dexibuprofen to 3-Carboxyibuprofen,NA
9578005,Dexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I + II,169502049,Lansoprazole-sulfide-5-glucuronide,CC1=C(OCC(F)(F)F)C=CN=C1CSC2=NC3=CC(OC4C(O)C(O)C(O)C(C(O)=O)O4)=CC=C3N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Grabowski and Lee, Clin. Drug Investig., 32(5), 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I + II]>CC1=C(OCC(F)(F)F)C=CN=C1CSC2=NC3=CC(OC4C(O)C(O)C(O)C(C(O)=O)O4)=CC=C3N2 Dexlansoprazole to Lansoprazole-sulfide-5-glucuronide,NA
9578005,Dexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,169501801,N-Acetyl-S-(5-hydroxy-1H-benzo[d]imidazol-2-yl)cysteine,OC(C(NC(C)=O)CSC1=NC2=CC(O)=CC=C2N1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Grabowski and Lee, Clin. Drug Investig., 32(5), 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>OC(C(NC(C)=O)CSC1=NC2=CC(O)=CC=C2N1)=O Dexlansoprazole to N-Acetyl-S-(5-hydroxy-1H-benzo[d]imidazol-2-yl)cysteine,NA
9578005,Dexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I + II,91810690,5-Hydroxydexlansoprazole-glucuronide,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=C(N2)C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OCC(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Grabowski and Lee, Clin. Drug Investig., 32(5), 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I + II]>CC1=C(C=CN=C1C[S@@](=O)C2=NC3=C(N2)C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OCC(F)(F)F Dexlansoprazole to 5-Hydroxydexlansoprazole-glucuronide,NA
9578005,Dexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I + II,91810693,5-Hydroxydexlansoprazole-sulfate,CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)O)OCC(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Grabowski and Lee, Clin. Drug Investig., 32(5), 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I + II]>CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)O)OCC(F)(F)F Dexlansoprazole to 5-Hydroxydexlansoprazole-sulfate,NA
9578005,Dexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,91810693,5-Sulfonyloxydexlansoprazole-sulfide,CC1=C(OCC(F)(F)F)C=CN=C1CSC2=NC3=CC(OS(O)(=O)=O)=CC=C3N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Grabowski and Lee, Clin. Drug Investig., 32(5), 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>CC1=C(OCC(F)(F)F)C=CN=C1CSC2=NC3=CC(OS(O)(=O)=O)=CC=C3N2 Dexlansoprazole to 5-Sulfonyloxydexlansoprazole-sulfide,NA
9578005,Dexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,91810689,4-Sulfonyloxydexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=C(N2)C=CC=C3OS(=O)(=O)O)OCC(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Grabowski and Lee, Clin. Drug Investig., 32(5), 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>CC1=C(C=CN=C1C[S@@](=O)C2=NC3=C(N2)C=CC=C3OS(=O)(=O)O)OCC(F)(F)F Dexlansoprazole to 4-Sulfonyloxydexlansoprazole,NA
9578005,Dexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,64583888,2-(Acetylamino)-3-[(1H-benzimidazol-2-yl)thio]propanoic acid,OC(C(NC(C)=O)CSC1=NC2=CC=CC=C2N1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Grabowski and Lee, Clin. Drug Investig., 32(5), 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>OC(C(NC(C)=O)CSC1=NC2=CC=CC=C2N1)=O Dexlansoprazole to 2-(Acetylamino)-3-[(1H-benzimidazol-2-yl)thio]propanoic acid,NA
9578005,Dexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,91810688,4-Sulfonyloxylansoprazole-sulfide,CC1=C(C=CN=C1CSC2=NC3=C(N2)C=CC=C3OS(=O)(=O)O)OCC(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Grabowski and Lee, Clin. Drug Investig., 32(5), 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>CC1=C(C=CN=C1CSC2=NC3=C(N2)C=CC=C3OS(=O)(=O)O)OCC(F)(F)F Dexlansoprazole to 4-Sulfonyloxylansoprazole-sulfide,NA
9578005,Dexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,71749087,5-Hydroxylansoprazole-sulfide,CC1=C(OCC(F)(F)F)C=CN=C1CSC2=NC3=CC=C(O)C=C3N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Landes et al, Clin. Pharmacokinet., 28(6), 1995",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>CC1=C(OCC(F)(F)F)C=CN=C1CSC2=NC3=CC=C(O)C=C3N2 Dexlansoprazole to 5-Hydroxylansoprazole-sulfide,NA
9578005,Dexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,1094080,Lansoprazole-sulfide,CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCC(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Grabowski and Lee, Clin. Drug Investig., 32(5), 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCC(F)(F)F Dexlansoprazole to Lansoprazole-sulfide,NA
9578005,Dexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,27339165,5-Hydroxydexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=C(N2)C=C(C=C3)O)OCC(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Grabowski and Lee, Clin. Drug Investig., 32(5), 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>CC1=C(C=CN=C1C[S@@](=O)C2=NC3=C(N2)C=C(C=C3)O)OCC(F)(F)F Dexlansoprazole to 5-Hydroxydexlansoprazole,NA
9578005,Dexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,71749086,4-Hydroxylansoprazole-sulfide,CC1=C(C=CN=C1CSC2=NC3=C(N2)C=CC=C3O)OCC(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Grabowski and Lee, Clin. Drug Investig., 32(5), 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>CC1=C(C=CN=C1CSC2=NC3=C(N2)C=CC=C3O)OCC(F)(F)F Dexlansoprazole to 4-Hydroxylansoprazole-sulfide,NA
9578005,Dexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,90478568,5-Hydroxylansoprazole-sulfone,CC1=C(OCC(F)(F)F)C=CN=C1CS(C2=NC3=CC=C(O)C=C3N2)(=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Landes et al, Clin. Pharmacokinet., 28(6), 1995",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>CC1=C(OCC(F)(F)F)C=CN=C1CS(C2=NC3=CC=C(O)C=C3N2)(=O)=O Dexlansoprazole to 5-Hydroxylansoprazole-sulfone,NA
9578005,Dexlansoprazole,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,10385385,Lansoprazole-sulfone,CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Grabowski and Lee, Clin. Drug Investig., 32(5), 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F Dexlansoprazole to Lansoprazole-sulfone,NA
5360696,Dextromethorphan,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC,Phase I,5463854,3-Hydroxymorphinan,C1CC[C@@]23CCN[C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC>[Phase I]>C1CC[C@@]23CCN[C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O Dextromethorphan to 3-Hydroxymorphinan,NA
5360696,Dextromethorphan,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC,Phase I,5360697,Dextrorphan,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Human,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC>[Phase I]>CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O Dextromethorphan to Dextrorphan,NA
5360696,Dextromethorphan,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC,Phase I,6603912,(+)-3-Methoxymorphinan,COC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,NA,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC>[Phase I]>COC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3)C=C1 Dextromethorphan to (+)-3-Methoxymorphinan,NA
5360696,Dextromethorphan,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC,Phase I + II,24883428,Dextrorphan-O-glucuronide,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC>[Phase I + II]>CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O Dextromethorphan to Dextrorphan-O-glucuronide,NA
5360696,Dextromethorphan,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC,Phase I + II,169501964,3-Hydroxymorphinan-sulfate,[H][C@]12CCCC[C@]11CCN[C@H]2CC2=C1C=C(OS(O)(=O)=O)C=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC>[Phase I + II]>[H][C@]12CCCC[C@]11CCN[C@H]2CC2=C1C=C(OS(O)(=O)=O)C=C2 Dextromethorphan to 3-Hydroxymorphinan-sulfate,NA
5360696,Dextromethorphan,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC,Phase I + II,169502096,3-Hydroxymorphinan-O-glucuronide,[H][C@]12CCCC[C@]11CCN[C@H]2CC2=C1C=C(OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC>[Phase I + II]>[H][C@]12CCCC[C@]11CCN[C@H]2CC2=C1C=C(OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C2 Dextromethorphan to 3-Hydroxymorphinan-O-glucuronide,NA
5360696,Dextromethorphan,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC,Phase I + II,169502207,Dextrorphan-sulfate,[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OS(O)(=O)=O)C=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC>[Phase I + II]>[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OS(O)(=O)=O)C=C2 Dextromethorphan to Dextrorphan-sulfate,NA
2140,Diatrozoate,CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I,Phase I,6181,3-5-Diiodo-L-tyrosine,C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I>[Phase I]>C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N Diatrozoate to 3-5-Diiodo-L-tyrosine,NA
2140,Diatrozoate,CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I,Phase I,21680,3-5-Diamino-2-4-6-triiodobenzoic acid,C1(=C(C(=C(C(=C1I)N)I)N)I)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I>[Phase I]>C1(=C(C(=C(C(=C1I)N)I)N)I)C(=O)O Diatrozoate to 3-5-Diamino-2-4-6-triiodobenzoic acid,NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I + II,169502244,3'-Hydroxy-2'glutathione conjugated monoclofenac,N[C@@H](CCC(=O)N[C@@H](CSC1C(O)C=CC(Cl)=C1NC1=CC=CC=C1CC(O)=O)C(=O)NCC(O)=O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I + II]>N[C@@H](CCC(=O)N[C@@H](CSC1C(O)C=CC(Cl)=C1NC1=CC=CC=C1CC(O)=O)C(=O)NCC(O)=O)C(O)=O Diclofenac to 3'-Hydroxy-2'glutathione conjugated monoclofenac,NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I + II,169502127,2'-Hydroxy-3'-glutathione conjugated diclofenac,N[C@@H](CCC(=O)N[C@@H](CSC1C=CC(Cl)=C(NC2=CC=CC=C2CC(O)=O)C1(O)Cl)C(=O)NCC(O)=O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I + II]>N[C@@H](CCC(=O)N[C@@H](CSC1C=CC(Cl)=C(NC2=CC=CC=C2CC(O)=O)C1(O)Cl)C(=O)NCC(O)=O)C(O)=O Diclofenac to 2'-Hydroxy-3'-glutathione conjugated diclofenac,NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I + II,169502019,"2-(2,6-Dichlorophenylamino)-benzyl-S-thioether-glutathione",N[C@@H](CCC(=O)N[C@@H](CSCC1C=CC=C\C1=N/C1=C(Cl)C=CC=C1Cl)C(=O)NCC(O)=O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I + II]>N[C@@H](CCC(=O)N[C@@H](CSCC1C=CC=C\C1=N/C1=C(Cl)C=CC=C1Cl)C(=O)NCC(O)=O)C(O)=O Diclofenac to 2-(2,6-Dichlorophenylamino)-benzyl-S-thioether-glutathione",NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I + II,165340740,4'-Hydroxy-2'-glutathione conjugated monoclofenac,N[C@@H](CCC(=O)N[C@@H](CSC1=CC(O)=CC(Cl)=C1NC1=CC=CC=C1CC(O)=O)C(=O)NCC(O)=O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I + II]>N[C@@H](CCC(=O)N[C@@H](CSC1=CC(O)=CC(Cl)=C1NC1=CC=CC=C1CC(O)=O)C(=O)NCC(O)=O)C(O)=O Diclofenac to 4'-Hydroxy-2'-glutathione conjugated monoclofenac,NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I + II,169502206,2'-(Glutathion-S-yl)-deschloro-diclofenac,N[C@@H](CCC(=O)N[C@@H](CSC1=CC=CC(Cl)=C1NC1=CC=CC=C1CC(O)=O)C(=O)NCC(O)=O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I + II]>N[C@@H](CCC(=O)N[C@@H](CSC1=CC=CC(Cl)=C1NC1=CC=CC=C1CC(O)=O)C(=O)NCC(O)=O)C(O)=O Diclofenac to 2'-(Glutathion-S-yl)-deschloro-diclofenac,NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I + II,100956536,4'-Hydroxy-3'-glutathione conjugated diclofenac,N[C@@H](CCC(=O)N[C@@H](CSC1=C(O)C=C(Cl)C(NC2=CC=CC=C2CC(O)=O)=C1Cl)C(=O)NCC(O)=O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I + II]>N[C@@H](CCC(=O)N[C@@H](CSC1=C(O)C=C(Cl)C(NC2=CC=CC=C2CC(O)=O)=C1Cl)C(=O)NCC(O)=O)C(O)=O Diclofenac to 4'-Hydroxy-3'-glutathione conjugated diclofenac,NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I + II,100956535,5-Hydroxy-4-glutathione conjugated diclofenac,N[C@@H](CCC(=O)N[C@@H](CSC1=C(O)C=C(CC(O)=O)C(NC2=C(Cl)C=CC=C2Cl)=C1)C(=O)NCC(O)=O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I + II]>N[C@@H](CCC(=O)N[C@@H](CSC1=C(O)C=C(CC(O)=O)C(NC2=C(Cl)C=CC=C2Cl)=C1)C(=O)NCC(O)=O)C(O)=O Diclofenac to 5-Hydroxy-4-glutathione conjugated diclofenac,NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I + II,100956537,5-Hydroxy-6-glutathione conjugated diclofenac,C1=CC(=C(C(=C1)Cl)NC2=C(C(=C(C=C2)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CC(=O)O)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I + II]>C1=CC(=C(C(=C1)Cl)NC2=C(C(=C(C=C2)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CC(=O)O)Cl Diclofenac to 5-Hydroxy-6-glutathione conjugated diclofenac,NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I,780,Homogentisic acid,C1=CC(=C(C=C1O)CC(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I]>C1=CC(=C(C=C1O)CC(=O)O)O Diclofenac to Homogentisic acid,NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase II,16084218,Diclofenac-acyl-glucuronide,C1=CC=C(C(=C1)CC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NC3=C(C=CC=C3Cl)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase II]>C1=CC=C(C(=C1)CC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NC3=C(C=CC=C3Cl)Cl Diclofenac to Diclofenac-acyl-glucuronide,NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I,59831280,"Diclofenac-2',3'-oxide",C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC3C2(O3)Cl)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I]>C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC3C2(O3)Cl)Cl Diclofenac to Diclofenac-2',3'-oxide",NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I,10065052,"5,N-Dihydroxy diclofenac",ON(C1=CC=C(O)C=C1CC(O)=O)C1=C(Cl)C=CC=C1Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I]>ON(C1=CC=C(O)C=C1CC(O)=O)C1=C(Cl)C=CC=C1Cl Diclofenac to 5,N-Dihydroxy diclofenac",NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I,169502037,Diclofenac-O-imine-methine,ClC1=CC=CC(Cl)=C1\N=C1/C=CC=CC1=C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I]>ClC1=CC=CC(Cl)=C1\N=C1/C=CC=CC1=C Diclofenac to Diclofenac-O-imine-methine,NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I,166624733,"3',4'-Hydroxydiclofenac",OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=C(O)C(O)=C1Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I]>OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=C(O)C(O)=C1Cl Diclofenac to 3',4'-Hydroxydiclofenac",NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I,3052567,"4',5-Dihydroxydiclofenac",OC(=O)CC1=CC(O)=CC=C1NC1=C(Cl)C=C(O)C=C1Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I]>OC(=O)CC1=CC(O)=CC=C1NC1=C(Cl)C=C(O)C=C1Cl Diclofenac to 4',5-Dihydroxydiclofenac",NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I,129615,3'-Hydroxy-4'-methoxydiclofenac,COC1=CC(=C(C(=C1O)Cl)NC2=CC=CC=C2CC(=O)O)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I]>COC1=CC(=C(C(=C1O)Cl)NC2=CC=CC=C2CC(=O)O)Cl Diclofenac to 3'-Hydroxy-4'-methoxydiclofenac,NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I,112230,3'-Hydroxydiclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC(=C2Cl)O)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I]>C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC(=C2Cl)O)Cl Diclofenac to 3'-Hydroxydiclofenac,NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I,116545,4'-Hydroxydiclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I]>C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl Diclofenac to 4'-Hydroxydiclofenac,NA
3033,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,Phase I,3052566,5-Hydroxydiclofenac,C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)O)CC(=O)O)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl>[Phase I]>C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)O)CC(=O)O)Cl Diclofenac to 5-Hydroxydiclofenac,NA
5284543,Dihydrocodeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O,Phase I,5359421,Dihydromorphine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](CC4)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O>[Phase I]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](CC4)O Dihydrocodeine to Dihydromorphine,NA
5284543,Dihydrocodeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O,Phase I,5359421,O-Desmethyldihydrocodeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(O[C@H]3[C@@H](O)CC4)=C(O)C=C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O>[Phase I]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(O[C@H]3[C@@H](O)CC4)=C(O)C=C5 Dihydrocodeine to O-Desmethyldihydrocodeine,NA
5284543,Dihydrocodeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O,Phase I,6915719,Nordihydromorphine,C1C[C@@H]([C@H]2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)O)O2)NCC4)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Mikus and Weiss, Current Pharmacogenomics, 3, 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O>[Phase I]>C1C[C@@H]([C@H]2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)O)O2)NCC4)O Dihydrocodeine to Nordihydromorphine,NA
5284543,Dihydrocodeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O,Phase II,9825634,Dihydromorphine-6-glucuronide,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](CC4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Mikus and Weiss, Current Pharmacogenomics, 3, 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O>[Phase II]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](CC4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O Dihydrocodeine to Dihydromorphine-6-glucuronide,NA
5284543,Dihydrocodeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O,Phase I,21155838,N-Desmethyldihydrocodeine,COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](CC5)O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O>[Phase I]>COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](CC5)O)C=C1 Dihydrocodeine to N-Desmethyldihydrocodeine,NA
5284543,Dihydrocodeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O,Phase II,101528813,Dihydromorphine-3-glucuronide,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O[C@H]3[C@H](CC4)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Mikus and Weiss, Current Pharmacogenomics, 3, 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O>[Phase II]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O[C@H]3[C@H](CC4)O Dihydrocodeine to Dihydromorphine-3-glucuronide,NA
5284543,Dihydrocodeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O,Phase II,101625339,Dihydrocodeine-6-glucuronide,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O>[Phase II]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O Dihydrocodeine to Dihydrocodeine-6-glucuronide,NA
39186,Diltiazem,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC,Phase I + II,169502073,"Desacetyl-N,O-didesmethyldiltiazem-glucuronide (most probably also at other position possible)",CNCCN1C2=CC=CC=C2S[C@@H](C3=CC=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)C=C3)[C@@H](O)C1=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC>[Phase I + II]>CNCCN1C2=CC=CC=C2S[C@@H](C3=CC=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)C=C3)[C@@H](O)C1=O Diltiazem to Desacetyl-N,O-didesmethyldiltiazem-glucuronide (most probably also at other position possible)",NA
39186,Diltiazem,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC,Phase I,10472681,"Desacetyl-N,O-didesmethyldiltiazem",CNCCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC>[Phase I]>CNCCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)O Diltiazem to Desacetyl-N,O-didesmethyldiltiazem",NA
39186,Diltiazem,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC,Phase I,10021324,Desacetyl-O-desmethyldiltiazem,CN(C)CCN1C2=C(S[C@H]([C@@H](O)C1=O)C1=CC=C(O)C=C1)C=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC>[Phase I]>CN(C)CCN1C2=C(S[C@H]([C@@H](O)C1=O)C1=CC=C(O)C=C1)C=CC=C2 Diltiazem to Desacetyl-O-desmethyldiltiazem,NA
39186,Diltiazem,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC,Phase I,158945,Desacetyl-N-monodesmethyldiltiazem,CNCCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC>[Phase I]>CNCCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OC Diltiazem to Desacetyl-N-monodesmethyldiltiazem,NA
39186,Diltiazem,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC,Phase I,91638,Desacetyldiltiazem,CN(C)CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC>[Phase I]>CN(C)CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OC Diltiazem to Desacetyldiltiazem,NA
39186,Diltiazem,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC,Phase I,101657590,"N,O-Didesmethyl diltiazem",CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCNC)C3=CC=C(C=C3)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC>[Phase I]>CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCNC)C3=CC=C(C=C3)O Diltiazem to N,O-Didesmethyl diltiazem",NA
39186,Diltiazem,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC,Phase I,25834477,O-Desmethyldiltiazem,CN(C)CCN1C2=C(S[C@H]([C@@H](OC(C)=O)C1=O)C1=CC=C(O)C=C1)C=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC>[Phase I]>CN(C)CCN1C2=C(S[C@H]([C@@H](OC(C)=O)C1=O)C1=CC=C(O)C=C1)C=CC=C2 Diltiazem to O-Desmethyldiltiazem,NA
39186,Diltiazem,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC,Phase I,107891,N-Monodesmethyldiltiazem,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCNC)C3=CC=C(C=C3)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC>[Phase I]>CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCNC)C3=CC=C(C=C3)OC Diltiazem to N-Monodesmethyldiltiazem,NA
39186,Diltiazem,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC,Phase I + II,169501853,"Desacetyl-N,O-didesmethyldiltiazem-sulfate (most probably also at other position possible)",CNCCN1C2=CC=CC=C2S[C@@H](C3=CC=C(OS(O)(=O)=O)C=C3)[C@@H](O)C1=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC>[Phase I + II]>CNCCN1C2=CC=CC=C2S[C@@H](C3=CC=C(OS(O)(=O)=O)C=C3)[C@@H](O)C1=O Diltiazem to Desacetyl-N,O-didesmethyldiltiazem-sulfate (most probably also at other position possible)",NA
39186,Diltiazem,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC,Phase I,71315210,Desacetyldiltiazem-N-oxide,C[N+](C)(CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OC)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC>[Phase I]>C[N+](C)(CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OC)[O-] Diltiazem to Desacetyldiltiazem-N-oxide,NA
637568,Dimethyl Fumarate,COC(=O)/C=C/C(=O)OC,Phase I,5369209,Monomethylfumarate (MMF),COC(=O)/C=C/C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC(=O)/C=C/C(=O)OC>[Phase I]>COC(=O)/C=C/C(=O)O Dimethyl Fumarate to Monomethylfumarate (MMF),NA
5281613,Diosmin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I,5281612,Diosmetin,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Zheng et al., Food Funct., 11, 2020",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I]>COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O Diosmin to Diosmetin,NA
5281613,Diosmin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I,5320496,Pilloin,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Zheng et al., Food Funct., 11, 2020",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I]>COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)O Diosmin to Pilloin,NA
5281613,Diosmin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I + II,44258234,Diosmin metabolite-sulfate,O=C1C=C(C2=CC(O)=C(OC)C=C2)OC3=CC(OS(=O)(O)=O)=CC(O)=C31,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Zheng et al., Food Funct., 11, 2020",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I + II]>O=C1C=C(C2=CC(O)=C(OC)C=C2)OC3=CC(OS(=O)(O)=O)=CC(O)=C31 Diosmin to Diosmin metabolite-sulfate,NA
5281613,Diosmin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I + II,74977725,Diosmin metabolite-glucuronide,O=C1C=C(C2=CC(O)=C(OC)C=C2)OC3=CC(OC4OC(C(O)=O)C(O)C(O)C4O)=CC(O)=C31,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Zheng et al., Food Funct., 11, 2020",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I + II]>O=C1C=C(C2=CC(O)=C(OC)C=C2)OC3=CC(OC4OC(C(O)=O)C(O)C(O)C4O)=CC(O)=C31 Diosmin to Diosmin metabolite-glucuronide,NA
5281613,Diosmin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I + II,155886656,Diosmin metabolite-diglucuronide,O=C1C=C(C2=CC(OC3C(O)C(O)C(O)C(C(O)=O)O3)=C(OC)C=C2)OC4=CC(OC5OC(C(O)=O)C(O)C(O)C5O)=CC(O)=C41,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Zheng et al., Food Funct., 11, 2020",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I + II]>O=C1C=C(C2=CC(OC3C(O)C(O)C(O)C(C(O)=O)O3)=C(OC)C=C2)OC4=CC(OC5OC(C(O)=O)C(O)C(O)C5O)=CC(O)=C41 Diosmin to Diosmin metabolite-diglucuronide,NA
5281613,Diosmin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I,169501860,Diosmin metabolite k,O=C1C=C(C(C#C2)=CC=C2OC)OC3=CC(OC)=CC(O)=C31,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Zheng et al., Food Funct., 11, 2020",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I]>O=C1C=C(C(C#C2)=CC=C2OC)OC3=CC(OC)=CC(O)=C31 Diosmin to Diosmin metabolite k,NA
5281613,Diosmin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I,169501944,Diosmin metabolite i,C[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC3=CC(O)=C4C(OC(C5=CC(O)=C(OC)C=C5)=C4)=C3)O2)O1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Zheng et al., Food Funct., 11, 2020",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I]>C[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC3=CC(O)=C4C(OC(C5=CC(O)=C(OC)C=C5)=C4)=C3)O2)O1 Diosmin to Diosmin metabolite i,NA
5281613,Diosmin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I,169502104,Diosmin metabolite j,C[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC3=CC(O)=C4C(OC(C5=CC(O)=CC=C5)=CC4=O)=C3)O2)O1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Zheng et al., Food Funct., 11, 2020",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I]>C[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC3=CC(O)=C4C(OC(C5=CC(O)=CC=C5)=CC4=O)=C3)O2)O1 Diosmin to Diosmin metabolite j,NA
3100,Diphenhydramine,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,Phase I,36060,"N,N-Didesmethyldiphenhydramine",NCCOC(C1=CC=CC=C1)C1=CC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I]>NCCOC(C1=CC=CC=C1)C1=CC=CC=C1 Diphenhydramine to N,N-Didesmethyldiphenhydramine",NA
3100,Diphenhydramine,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,Phase I,40791,N-Desmethyldiphenhydramine,CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I]>CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2 Diphenhydramine to N-Desmethyldiphenhydramine,NA
3100,Diphenhydramine,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,Phase II,178420,Diphenhydramine-N-glucuronide,C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2>[Phase II]>C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O Diphenhydramine to Diphenhydramine-N-glucuronide,NA
3100,Diphenhydramine,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,Phase I,597513,Diphenylmethoxyacetic acid,C1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I]>C1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(=O)O Diphenhydramine to Diphenylmethoxyacetic acid,NA
3100,Diphenhydramine,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,Phase I + II,85986645,Diphenylmethoxyacetic acid-glycine,O=C(NCC(O)=O)COC(C1=CC=CC=C1)C2=CC=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I + II]>O=C(NCC(O)=O)COC(C1=CC=CC=C1)C2=CC=CC=C2 Diphenhydramine to Diphenylmethoxyacetic acid-glycine,NA
3100,Diphenhydramine,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,Phase I,86155091,N-Acetyl-N-desmethyldiphenhydramine,CC(=O)NCCOC(C1=CC=CC=C1)C1=CC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I]>CC(=O)NCCOC(C1=CC=CC=C1)C1=CC=CC=C1 Diphenhydramine to N-Acetyl-N-desmethyldiphenhydramine,NA
3100,Diphenhydramine,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,Phase I + II,169502165,Diphenylmethoxyacetic acid-glutamine,O=C(NC(CCC(N)C(O)=O)=O)COC(C1=CC=CC=C1)C2=CC=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I + II]>O=C(NC(CCC(N)C(O)=O)=O)COC(C1=CC=CC=C1)C2=CC=CC=C2 Diphenhydramine to Diphenylmethoxyacetic acid-glutamine,NA
3108,Dipyridamole,C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO,Phase II,46781407,Dipyridamole-O-β-D-glucuronide,C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO[C@@H]5[C@@H]([C@@H]([C@H](C(O5)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO>[Phase II]>C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO[C@@H]5[C@@H]([C@@H]([C@H](C(O5)C(=O)O)O)O)O Dipyridamole to Dipyridamole-O-β-D-glucuronide,NA
3117,Disulfiram,CCN(CC)C(=S)SSC(=S)N(CC)CC,Phase I,8021,Diethylamine,CCNCC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=S)SSC(=S)N(CC)CC>[Phase I]>CCNCC Disulfiram to Diethylamine,NA
3117,Disulfiram,CCN(CC)C(=S)SSC(=S)N(CC)CC,Phase I,3035711,Diethylthiomethylcarbamate-sulfoxide,CCN(C(S(C)=O)=O)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Johansson, Acta Psychiatr. Scand., 86(S369), 1992",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=S)SSC(=S)N(CC)CC>[Phase I]>CCN(C(S(C)=O)=O)CC Disulfiram to Diethylthiomethylcarbamate-sulfoxide,NA
3117,Disulfiram,CCN(CC)C(=S)SSC(=S)N(CC)CC,Phase I,3552889,Diethylthiomethylcarbamate-sulfone,CCN(C(S(C)(=O)=O)=O)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Johansson, Acta Psychiatr. Scand., 86(S369), 1992",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=S)SSC(=S)N(CC)CC>[Phase I]>CCN(C(S(C)(=O)=O)=O)CC Disulfiram to Diethylthiomethylcarbamate-sulfone,NA
3117,Disulfiram,CCN(CC)C(=S)SSC(=S)N(CC)CC,Phase I + II,169502265,DDC-glucuronide,CCN(C(SC1OC(C(O)=O)C(O)C(O)C1O)=S)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Johansson, Acta Psychiatr. Scand., 86(S369), 1992",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=S)SSC(=S)N(CC)CC>[Phase I + II]>CCN(C(SC1OC(C(O)=O)C(O)C(O)C1O)=S)CC Disulfiram to DDC-glucuronide,NA
3117,Disulfiram,CCN(CC)C(=S)SSC(=S)N(CC)CC,Phase I,10197943,MeDDC-sulfoxide,CCN(CC)C(S(C)=O)=S,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Gennett Pike et al., Drug Metab. Dispos., 29(2), 2001",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=S)SSC(=S)N(CC)CC>[Phase I]>CCN(CC)C(S(C)=O)=S Disulfiram to MeDDC-sulfoxide,NA
3117,Disulfiram,CCN(CC)C(=S)SSC(=S)N(CC)CC,Phase I,8987,Diethyldithiocarbamic acid (DDC),CCN(CC)C(=S)S,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=S)SSC(=S)N(CC)CC>[Phase I]>CCN(CC)C(=S)S Disulfiram to Diethyldithiocarbamic acid (DDC),NA
3117,Disulfiram,CCN(CC)C(=S)SSC(=S)N(CC)CC,Phase I,119467,Diethylthiomethylcarbamate (Me-DTC),CCN(C(SC)=O)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Johansson, Acta Psychiatr. Scand., 86(S369), 1992",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=S)SSC(=S)N(CC)CC>[Phase I]>CCN(C(SC)=O)CC Disulfiram to Diethylthiomethylcarbamate (Me-DTC),NA
3117,Disulfiram,CCN(CC)C(=S)SSC(=S)N(CC)CC,Phase I,6348,Carbon disulfide,C(=S)=S,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=S)SSC(=S)N(CC)CC>[Phase I]>C(=S)=S Disulfiram to Carbon disulfide,NA
3117,Disulfiram,CCN(CC)C(=S)SSC(=S)N(CC)CC,Phase I,9989831,MeDDC-sulfine,CCN(CC)C(SC)=S=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Gennett Pike et al., Drug Metab. Dispos., 29(2), 2001",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=S)SSC(=S)N(CC)CC>[Phase I]>CCN(CC)C(SC)=S=O Disulfiram to MeDDC-sulfine,NA
3117,Disulfiram,CCN(CC)C(=S)SSC(=S)N(CC)CC,Phase I,12704,Diethyldithiomethylcarbamate (Me-DDC),CCN(C(SC)=S)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Johansson, Acta Psychiatr. Scand., 86(S369), 1992",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=S)SSC(=S)N(CC)CC>[Phase I]>CCN(C(SC)=S)CC Disulfiram to Diethyldithiomethylcarbamate (Me-DDC),NA
54726191,Dolutegravir,C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O,Phase I + II,169501955,Defluorinated and gutathione conjugated form of dolutegravir (M4.2),CC1CCOC2CN3C=C(C(=O)NCC4=CC(SCC(N)C(O)=O)=C(F)C=C4O)C(=O)C(O)=C3C(=O)N12,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O>[Phase I + II]>CC1CCOC2CN3C=C(C(=O)NCC4=CC(SCC(N)C(O)=O)=C(F)C=C4O)C(=O)C(O)=C3C(=O)N12 Dolutegravir to Defluorinated and gutathione conjugated form of dolutegravir (M4.2),NA
54726191,Dolutegravir,C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O,Phase I + II,169501992,Defluorinated and gutathione conjugated form of dolutegravir (M4.1),CC1CCOC2CN3C=C(C(=O)NCC4=CC(SCC(N)C(O)=O)=C(O)C=C4F)C(=O)C(O)=C3C(=O)N12,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O>[Phase I + II]>CC1CCOC2CN3C=C(C(=O)NCC4=CC(SCC(N)C(O)=O)=C(O)C=C4F)C(=O)C(O)=C3C(=O)N12 Dolutegravir to Defluorinated and gutathione conjugated form of dolutegravir (M4.1),NA
54726191,Dolutegravir,C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O,Phase I,142733905,Hydrolized dolutegravir (M1),CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)N)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O>[Phase I]>CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)N)O Dolutegravir to Hydrolized dolutegravir (M1),NA
54726191,Dolutegravir,C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O,Phase II,131635205,Ether-glucuronide-dolutegravir (M2),C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O[C@@H]5C[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O>[Phase II]>C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O[C@@H]5C[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(=O)O Dolutegravir to Ether-glucuronide-dolutegravir (M2),NA
54726191,Dolutegravir,C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O,Phase I,169501878,Hydroxydolutegravir (M3),CC1CCOC2CN3C=C(C(=O)NC(O)C4=CC=C(F)C=C4F)C(=O)C(O)=C3C(=O)N12,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O>[Phase I]>CC1CCOC2CN3C=C(C(=O)NC(O)C4=CC=C(F)C=C4F)C(=O)C(O)=C3C(=O)N12 Dolutegravir to Hydroxydolutegravir (M3),NA
54726191,Dolutegravir,C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O,Phase I,91867,"2,4-Difluorobenzaldehyde (M5)",OCC1=CC=C(F)C=C1F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O>[Phase I]>OCC1=CC=C(F)C=C1F Dolutegravir to 2,4-Difluorobenzaldehyde (M5)",NA
3151,Domperidone,C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O,Phase I,104607,"5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one (M2)",C1CNCCC1N2C3=C(C=C(C=C3)Cl)NC2=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O>[Phase I]>C1CNCCC1N2C3=C(C=C(C=C3)Cl)NC2=O Domperidone to 5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one (M2)",NA
3151,Domperidone,C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O,Phase I,158069,Hydroxydomperidone (M3),ClC(C=C1)=CC(NC2=O)=C1N2C3CCN(CCCN4C5=CC=C(O)C=C5NC4=O)CC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O>[Phase I]>ClC(C=C1)=CC(NC2=O)=C1N2C3CCN(CCCN4C5=CC=C(O)C=C5NC4=O)CC3 Domperidone to Hydroxydomperidone (M3),NA
3151,Domperidone,C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O,Phase I,102089308,Hydroxydomperidone (M5),ClC(C=C1)=CC(NC2=O)=C1N2C3CCN(CCCN4C5=CC=CC(O)=C5NC4=O)CC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Michaud et al., J. Chromatogr. B, 852(1-2), 2007",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O>[Phase I]>ClC(C=C1)=CC(NC2=O)=C1N2C3CCN(CCCN4C5=CC=CC(O)=C5NC4=O)CC3 Domperidone to Hydroxydomperidone (M5),NA
3151,Domperidone,C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O,Phase I,169502040,Hydroxydomperidone (M4),ClC(C=C1)=CC(NC2=O)=C1N2C3CCN(CCCN4C5=CC(O)=CC=C5NC4=O)CC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Michaud et al., J. Chromatogr. B, 852(1-2), 2007",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O>[Phase I]>ClC(C=C1)=CC(NC2=O)=C1N2C3CCN(CCCN4C5=CC(O)=CC=C5NC4=O)CC3 Domperidone to Hydroxydomperidone (M4),NA
3151,Domperidone,C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O,Phase I,169502210,Hydroxydomperidone (M1),ClC(C=C1)=CC(NC2=O)=C1N2C3CCN(CCCN4C5=C(O)C=CC=C5NC4=O)CC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Michaud et al., J. Chromatogr. B, 852(1-2), 2007",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O>[Phase I]>ClC(C=C1)=CC(NC2=O)=C1N2C3CCN(CCCN4C5=C(O)C=CC=C5NC4=O)CC3 Domperidone to Hydroxydomperidone (M1),NA
3151,Domperidone,C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O,Phase I,13016877,1-(3-Hydroxypropyl)-1H-benzo[d]imidazol-2(3H)-one,O=C1NC2=CC=CC=C2N1CCCO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O>[Phase I]>O=C1NC2=CC=CC=C2N1CCCO Domperidone to 1-(3-Hydroxypropyl)-1H-benzo[d]imidazol-2(3H)-one,NA
3151,Domperidone,C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O,Phase I,156358,"2,3-Dihydro-2-oxo-1H-benzamidazole-1-propanoic acid ",C1=CC=C2C(=C1)NC(=O)N2CCC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O>[Phase I]>C1=CC=C2C(=C1)NC(=O)N2CCC(=O)O Domperidone to 2,3-Dihydro-2-oxo-1H-benzamidazole-1-propanoic acid ",NA
208898,Dronedarone,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC,Phase I,10095002,"N,N'-Didebutyl-dronedarone",CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC>[Phase I]>CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN Dronedarone to N,N'-Didebutyl-dronedarone",NA
208898,Dronedarone,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC,Phase I + II,169501806,Phenol-dronedarone-glucuronide,CCCCC1=C(C(=O)C2=CC=C(OC3C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H]3C(O)=O)C=C2)C2=C(O1)C=CC(NS(C)(=O)=O)=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC>[Phase I + II]>CCCCC1=C(C(=O)C2=CC=C(OC3C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H]3C(O)=O)C=C2)C2=C(O1)C=CC(NS(C)(=O)=O)=C2 Dronedarone to Phenol-dronedarone-glucuronide,NA
208898,Dronedarone,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC,Phase I + II,169502255,"Deaminated N,N′-didebutyldronedarone-glucuronide",CCCCC1=C(C(=O)C2=CC=C(OCCCOC3C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H]3C(O)=O)C=C2)C2=C(O1)C=CC(NS(C)(=O)=O)=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC>[Phase I + II]>CCCCC1=C(C(=O)C2=CC=C(OCCCOC3C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H]3C(O)=O)C=C2)C2=C(O1)C=CC(NS(C)(=O)=O)=C2 Dronedarone to Deaminated N,N′-didebutyldronedarone-glucuronide",NA
208898,Dronedarone,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC,Phase I,10269014,C-Dealkyl-dronedarone,CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC>[Phase I]>CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)O Dronedarone to C-Dealkyl-dronedarone,NA
208898,Dronedarone,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC,Phase I,10255437,N-Debutyl-dronedarone,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCNCCCC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC>[Phase I]>CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCNCCCC Dronedarone to N-Debutyl-dronedarone,NA
208898,Dronedarone,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC,Phase I,123819008,"Deaminated N,N′-didebutyldronedarone",CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC>[Phase I]>CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCO Dronedarone to Deaminated N,N′-didebutyldronedarone",NA
208898,Dronedarone,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC,Phase I,71495101,Propanoic acid-dronedarone,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC>[Phase I]>CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCC(=O)O Dronedarone to Propanoic acid-dronedarone,NA
208898,Dronedarone,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC,Phase I,70653166,Phenol-dronedarone,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC>[Phase I]>CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)O Dronedarone to Phenol-dronedarone,NA
60835,Duloxetine,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32,Phase I,10086952,6-Hydroxyduloxetine,CNCC[C@H](OC1=CC=CC2=CC(O)=CC=C12)C1=CC=CS1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32>[Phase I]>CNCC[C@H](OC1=CC=CC2=CC(O)=CC=C12)C1=CC=CS1 Duloxetine to 6-Hydroxyduloxetine,NA
60835,Duloxetine,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32,Phase I,29981497,4-Hydroxyduloxetine,CNCC[C@@H](C1=CC=CS1)OC2=CC=C(C3=CC=CC=C32)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32>[Phase I]>CNCC[C@@H](C1=CC=CS1)OC2=CC=C(C3=CC=CC=C32)O Duloxetine to 4-Hydroxyduloxetine,NA
60835,Duloxetine,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32,Phase I + II,29981512,4-Hydroxyduloxetine-glucuronide,CNCC[C@@H](C1=CC=CS1)OC2=CC=C(C3=CC=CC=C32)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32>[Phase I + II]>CNCC[C@@H](C1=CC=CS1)OC2=CC=C(C3=CC=CC=C32)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O Duloxetine to 4-Hydroxyduloxetine-glucuronide,NA
60835,Duloxetine,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32,Phase I,29981679,5-Hydroxy-6-methoxyduloxetine,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3O)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32>[Phase I]>CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3O)OC Duloxetine to 5-Hydroxy-6-methoxyduloxetine,NA
60835,Duloxetine,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32,Phase I,44344115,Catechol duloxetine,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32>[Phase I]>CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3O)O Duloxetine to Catechol duloxetine,NA
60835,Duloxetine,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32,Phase I,44344235,5-hydroxyduloxetine,CNCC[C@H](OC1=CC=CC2=C(O)C=CC=C12)C1=CC=CS1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32>[Phase I]>CNCC[C@H](OC1=CC=CC2=C(O)C=CC=C12)C1=CC=CS1 Duloxetine to 5-hydroxyduloxetine,NA
60835,Duloxetine,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32,Phase I + II,131770039,5-Hydroxy-6-methoxyduloxetine-sulfate,CNCCC(C1=CC=CO1)OC2=CC=CC3=C2C=CC(=C3OS(=O)(=O)O)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32>[Phase I + II]>CNCCC(C1=CC=CO1)OC2=CC=CC3=C2C=CC(=C3OS(=O)(=O)O)OC Duloxetine to 5-Hydroxy-6-methoxyduloxetine-sulfate,NA
60835,Duloxetine,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32,Phase I + II,169502236,5-Hydroxy-6-methoxyduloxetine-glucuronide,CNCC[C@H](OC1=CC=CC2=C(OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(OC)=CC=C12)C1=CC=CS1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32>[Phase I + II]>CNCC[C@H](OC1=CC=CC2=C(OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(OC)=CC=C12)C1=CC=CS1 Duloxetine to 5-Hydroxy-6-methoxyduloxetine-glucuronide,NA
10280735,Edoxaban,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C,Phase I,16661115,N-Desmethyledoxaban (M6),CN(C)C(=O)[C@H]1CC[C@@H]([C@@H](C1)NC(=O)C2=NC3=C(S2)CNCC3)NC(=O)C(=O)NC4=NC=C(C=C4)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Parasrampuria et al., Clin. Pharmacokinet., 55, 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C>[Phase I]>CN(C)C(=O)[C@H]1CC[C@@H]([C@@H](C1)NC(=O)C2=NC3=C(S2)CNCC3)NC(=O)C(=O)NC4=NC=C(C=C4)Cl Edoxaban to N-Desmethyledoxaban (M6),NA
10280735,Edoxaban,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C,Phase I,59676785,Edoxaban metabolite M8,CNC(=O)[C@H]1CC[C@@H]([C@@H](C1)NC(=O)C2=NC3=C(S2)CN(CC3)C)NC(=O)C(=O)NC4=NC=C(C=C4)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Parasrampuria et al., Clin. Pharmacokinet., 55, 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C>[Phase I]>CNC(=O)[C@H]1CC[C@@H]([C@@H](C1)NC(=O)C2=NC3=C(S2)CN(CC3)C)NC(=O)C(=O)NC4=NC=C(C=C4)Cl Edoxaban to Edoxaban metabolite M8,NA
10280735,Edoxaban,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C,Phase I,59676792,Edoxaban metabolite M1,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)O)C(=O)N(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Parasrampuria et al., Clin. Pharmacokinet., 55, 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C>[Phase I]>CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)O)C(=O)N(C)C Edoxaban to Edoxaban metabolite M1,NA
10280735,Edoxaban,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C,Phase I,59676899,Edoxaban metabolite M4,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Parasrampuria et al., Clin. Pharmacokinet., 55, 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C>[Phase I]>CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)O Edoxaban to Edoxaban metabolite M4,NA
10280735,Edoxaban,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C,Phase I,59677038,Edoxaban metabolite M2,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3N)C(=O)N(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Parasrampuria et al., Clin. Pharmacokinet., 55, 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C>[Phase I]>CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3N)C(=O)N(C)C Edoxaban to Edoxaban metabolite M2,NA
10280735,Edoxaban,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C,Phase I,118753693,Edoxaban-N-oxide (M5),C[N+]1([O-])CCC2=C(SC(C(N[C@@H]3C[C@@H](C(N(C)C)=O)CC[C@@H]3NC(C(NC4=NC=C(Cl)C=C4)=O)=O)=O)=N2)C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Parasrampuria et al., Clin. Pharmacokinet., 55, 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C>[Phase I]>C[N+]1([O-])CCC2=C(SC(C(N[C@@H]3C[C@@H](C(N(C)C)=O)CC[C@@H]3NC(C(NC4=NC=C(Cl)C=C4)=O)=O)=O)=N2)C1 Edoxaban to Edoxaban-N-oxide (M5),NA
10280735,Edoxaban,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C,Phase I,155543712,Edoxaban metabolite M7,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Parasrampuria et al., Clin. Pharmacokinet., 55, 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C>[Phase I]>CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)CO Edoxaban to Edoxaban metabolite M7,NA
10280735,Edoxaban,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C,Phase I,169502124,Edoxaban metabolite M3,C[N+]1(C2OC(C(O)=O)C(O)C(O)C2O)CCC3=C(SC(C(N[C@@H]4C[C@@H](C(N(C)C)=O)CC[C@@H]4NC(C(NC5=NC=C(Cl)C=C5)=O)=O)=O)=N3)C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Parasrampuria et al., Clin. Pharmacokinet., 55, 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C>[Phase I]>C[N+]1(C2OC(C(O)=O)C(O)C(O)C2O)CCC3=C(SC(C(N[C@@H]4C[C@@H](C(N(C)C)=O)CC[C@@H]4NC(C(NC5=NC=C(Cl)C=C5)=O)=O)=O)=N3)C1 Edoxaban to Edoxaban metabolite M3,NA
64139,Efavirenz,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F,Phase I,487643,8-Hydroxyefavirenz,[H]N1C(=O)O[C@@](C#CC2([H])C([H])([H])C2([H])[H])(C2=C1C(O)=C([H])C(Cl)=C2[H])C(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F>[Phase I]>[H]N1C(=O)O[C@@](C#CC2([H])C([H])([H])C2([H])[H])(C2=C1C(O)=C([H])C(Cl)=C2[H])C(F)(F)F Efavirenz to 8-Hydroxyefavirenz,NA
64139,Efavirenz,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F,Phase I + II,487647,8-Hydroxyefavirenz-sulfate,ClC1=CC([C@]2(C(F)(F)F)C#CC3CC3)=C(NC(O2)=O)C(OS(O)(=O)=O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F>[Phase I + II]>ClC1=CC([C@]2(C(F)(F)F)C#CC3CC3)=C(NC(O2)=O)C(OS(O)(=O)=O)=C1 Efavirenz to 8-Hydroxyefavirenz-sulfate,NA
64139,Efavirenz,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F,Phase I,16725849,"8,14-Dihydroxyefavirenz",C1CC1(C#C[C@]2(C3=C(C(=CC(=C3)Cl)O)NC(=O)O2)C(F)(F)F)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F>[Phase I]>C1CC1(C#C[C@]2(C3=C(C(=CC(=C3)Cl)O)NC(=O)O2)C(F)(F)F)O Efavirenz to 8,14-Dihydroxyefavirenz",NA
64139,Efavirenz,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F,Phase I,40621976,7-Hydroxyefavirenz,C1CC1C#C[C@]2(C3=CC(=C(C=C3NC(=O)O2)O)Cl)C(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F>[Phase I]>C1CC1C#C[C@]2(C3=CC(=C(C=C3NC(=O)O2)O)Cl)C(F)(F)F Efavirenz to 7-Hydroxyefavirenz,NA
64139,Efavirenz,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F,Phase I,155543703,"7,8-Dihydroxyefavirenz",O=C(O1)NC2=C(O)C(O)=C(Cl)C=C2[C@]1(C(F)(F)F)C#CC3CC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F>[Phase I]>O=C(O1)NC2=C(O)C(O)=C(Cl)C=C2[C@]1(C(F)(F)F)C#CC3CC3 Efavirenz to 7,8-Dihydroxyefavirenz",NA
64139,Efavirenz,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F,Phase I + II,169501807,7-Hydroxyefavirenz-glucuronide,O=C(O1)NC2=CC(OC3OC(C(O)=O)C(O)C(O)C3O)=C(Cl)C=C2[C@]1(C(F)(F)F)C#CC4CC4,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F>[Phase I + II]>O=C(O1)NC2=CC(OC3OC(C(O)=O)C(O)C(O)C3O)=C(Cl)C=C2[C@]1(C(F)(F)F)C#CC4CC4 Efavirenz to 7-Hydroxyefavirenz-glucuronide,NA
64139,Efavirenz,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F,Phase I + II,169502009,7-Hydroxyefavirenz-sulfate,O=C(O1)NC2=CC(OS(=O)(O)=O)=C(Cl)C=C2[C@]1(C(F)(F)F)C#CC3CC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F>[Phase I + II]>O=C(O1)NC2=CC(OS(=O)(O)=O)=C(Cl)C=C2[C@]1(C(F)(F)F)C#CC3CC3 Efavirenz to 7-Hydroxyefavirenz-sulfate,NA
64139,Efavirenz,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F,Phase I + II,169502041,8-Hydroxyefavirenz-glucuronide,ClC1=CC([C@]2(C(F)(F)F)C#CC3CC3)=C(NC(O2)=O)C(OC4OC(C(O)=O)C(O)C(O)C4O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F>[Phase I + II]>ClC1=CC([C@]2(C(F)(F)F)C#CC3CC3)=C(NC(O2)=O)C(OC4OC(C(O)=O)C(O)C(O)C4O)=C1 Efavirenz to 8-Hydroxyefavirenz-glucuronide,NA
5277135,Elvitegravir,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O,Phase I,11547180,p-Hydroxyelvitegravir (M1),CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=C(C=C3)O)Cl)F)OC)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ghantous, FDA approval document of elvitegravir, 203100Orig1s000, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O>[Phase I]>CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=C(C=C3)O)Cl)F)OC)C(=O)O Elvitegravir to p-Hydroxyelvitegravir (M1),NA
5277135,Elvitegravir,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O,Phase II,57678650,Elvitegravir-acyl-glucuronide (M4),CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ghantous, FDA approval document of elvitegravir, 203100Orig1s000, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O>[Phase II]>CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O Elvitegravir to Elvitegravir-acyl-glucuronide (M4),NA
5277135,Elvitegravir,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O,Phase I,169501823,Elvitegravir metabolite M9,CC([C@H](N1C=C(C(O)=O)C(C2=C1C(O)=C(OC)C(CC3=C(F)C(Cl)=C(O)C=C3)=C2)=O)CO)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ghantous, FDA approval document of elvitegravir, 203100Orig1s000, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O>[Phase I]>CC([C@H](N1C=C(C(O)=O)C(C2=C1C(O)=C(OC)C(CC3=C(F)C(Cl)=C(O)C=C3)=C2)=O)CO)C Elvitegravir to Elvitegravir metabolite M9,NA
5277135,Elvitegravir,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O,Phase I,169501833,Elvitegravir metabolite M15,CC([C@H](N1C=C(C(O)=O)C(C2=C1C=C(OC)C(C(O)C3=C(F)C(Cl)=CC=C3)=C2)=O)CO)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ghantous, FDA approval document of elvitegravir, 203100Orig1s000, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O>[Phase I]>CC([C@H](N1C=C(C(O)=O)C(C2=C1C=C(OC)C(C(O)C3=C(F)C(Cl)=CC=C3)=C2)=O)CO)CO Elvitegravir to Elvitegravir metabolite M15,NA
5277135,Elvitegravir,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O,Phase I + II,169501883,Elvitegravir metabolite M23,CC([C@H](N1C=C(C(O)=O)C(C2=C1C(OC3C(O)C(O)C(O)C(C(O)=O)O3)=C(OC)C(CC4=C(F)C(Cl)=CC=C4)=C2)=O)CO)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ghantous, FDA approval document of elvitegravir, 203100Orig1s000, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O>[Phase I + II]>CC([C@H](N1C=C(C(O)=O)C(C2=C1C(OC3C(O)C(O)C(O)C(C(O)=O)O3)=C(OC)C(CC4=C(F)C(Cl)=CC=C4)=C2)=O)CO)C Elvitegravir to Elvitegravir metabolite M23,NA
5277135,Elvitegravir,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O,Phase I + II,169501940,Elvitegravir metabolite M19,CC([C@H](N1C=C(C(O)=O)C(C2=C1C=C(OC)C(C(O)C3=C(F)C(Cl)=CC=C3)=C2)=O)CO)COC4C(O)C(O)C(O)C(C(O)=O)O4,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ghantous, FDA approval document of elvitegravir, 203100Orig1s000, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O>[Phase I + II]>CC([C@H](N1C=C(C(O)=O)C(C2=C1C=C(OC)C(C(O)C3=C(F)C(Cl)=CC=C3)=C2)=O)CO)COC4C(O)C(O)C(O)C(C(O)=O)O4 Elvitegravir to Elvitegravir metabolite M19,NA
5277135,Elvitegravir,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O,Phase I,169501986,Elvitegravir metabolite M5_1,CC([C@H](N1C=C(C(O)=O)C(C2=C1C=C(OC)C(CC3=C(F)C(Cl)=C(O)C(O)=C3)=C2)=O)CO)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ghantous, FDA approval document of elvitegravir, 203100Orig1s000, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O>[Phase I]>CC([C@H](N1C=C(C(O)=O)C(C2=C1C=C(OC)C(CC3=C(F)C(Cl)=C(O)C(O)=C3)=C2)=O)CO)C Elvitegravir to Elvitegravir metabolite M5_1,NA
5277135,Elvitegravir,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O,Phase I,169502115,Elvitegravir metabolite M7,CC([C@H](N1C=C(C(O)=O)C(C2=C1C(OC3C(O)C(O)C(O)C(C(O)=O)O3)=C(OC)C(CC4=C(F)C(Cl)=C(O)C=C4)=C2)=O)CO)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ghantous, FDA approval document of elvitegravir, 203100Orig1s000, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O>[Phase I]>CC([C@H](N1C=C(C(O)=O)C(C2=C1C(OC3C(O)C(O)C(O)C(C(O)=O)O3)=C(OC)C(CC4=C(F)C(Cl)=C(O)C=C4)=C2)=O)CO)C Elvitegravir to Elvitegravir metabolite M7,NA
5277135,Elvitegravir,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O,Phase I,169502130,Elvitegravir metabolite M5_2,CC([C@H](N1C=C(C(O)=O)C(C2=C1C=C(OC)C(CC3=C(F)C(Cl)=CC(O)=C3O)=C2)=O)CO)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ghantous, FDA approval document of elvitegravir, 203100Orig1s000, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O>[Phase I]>CC([C@H](N1C=C(C(O)=O)C(C2=C1C=C(OC)C(CC3=C(F)C(Cl)=CC(O)=C3O)=C2)=O)CO)C Elvitegravir to Elvitegravir metabolite M5_2,NA
5277135,Elvitegravir,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O,Phase I,169502204,Elvitegravir metabolite M8,CC([C@H](N1C=C(C(O)=O)C(C2=C1C=C(OC)C(C(O)C3=C(F)C(Cl)=C(O)C=C3)=C2)=O)CO)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ghantous, FDA approval document of elvitegravir, 203100Orig1s000, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O>[Phase I]>CC([C@H](N1C=C(C(O)=O)C(C2=C1C=C(OC)C(C(O)C3=C(F)C(Cl)=C(O)C=C3)=C2)=O)CO)C Elvitegravir to Elvitegravir metabolite M8,NA
5277135,Elvitegravir,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O,Phase I,169502278,Elvitegravir metabolite M18,CC([C@H](N1C=C(C(O)=O)C(C2=C1C(O)=C(OC)C(CC3=C(F)C(Cl)=CC=C3)=C2)=O)CO)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ghantous, FDA approval document of elvitegravir, 203100Orig1s000, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O>[Phase I]>CC([C@H](N1C=C(C(O)=O)C(C2=C1C(O)=C(OC)C(CC3=C(F)C(Cl)=CC=C3)=C2)=O)CO)C Elvitegravir to Elvitegravir metabolite M18,NA
11949646,Empagliflozin,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl,Phase I,44580555,Empagliflozin metabolite M380/1,C1=CC(=CC=C1CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Taub et al., Chem. Res. Toxicol., 28(1), 2015",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl>[Phase I]>C1=CC(=CC=C1CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)O Empagliflozin to Empagliflozin metabolite M380/1,NA
11949646,Empagliflozin,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl,Phase I,155928798,Empagliflozin metabolite M468/1,OC[C@@H](OC1=CC=C(CC2=C(Cl)C=CC([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C2)C=C1)CCO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Taub et al., Chem. Res. Toxicol., 28(1), 2015",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl>[Phase I]>OC[C@@H](OC1=CC=C(CC2=C(Cl)C=CC([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C2)C=C1)CCO Empagliflozin to Empagliflozin metabolite M468/1,NA
11949646,Empagliflozin,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl,Phase I,169435693,Empagliflozin metabolite M482/1,OC[C@@H](OC1=CC=C(CC2=C(Cl)C=CC([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C2)C=C1)CC(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Taub et al., Chem. Res. Toxicol., 28(1), 2015",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl>[Phase I]>OC[C@@H](OC1=CC=C(CC2=C(Cl)C=CC([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C2)C=C1)CC(O)=O Empagliflozin to Empagliflozin metabolite M482/1,NA
11949646,Empagliflozin,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl,Phase II,169501808,Empagliflozin-3-glucuronide (M626/3),[H][C@@]1(CCOC1)OC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)C([H])(OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]2([H])O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl>[Phase II]>[H][C@@]1(CCOC1)OC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)C([H])(OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]2([H])O)C=C1 Empagliflozin to Empagliflozin-3-glucuronide (M626/3),NA
11949646,Empagliflozin,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl,Phase II,169501836,Empagliflozin-6-glucuronide ,[H][C@@]1(CCOC1)OC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@]2([H])O[C@]([H])(COC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl>[Phase II]>[H][C@@]1(CCOC1)OC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@]2([H])O[C@]([H])(COC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C=C1 Empagliflozin to Empagliflozin-6-glucuronide ,NA
11949646,Empagliflozin,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl,Phase I,169501933,Empagliflozin metabolite M466/2,OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1C2=CC(CC(C=C3)=CC=C3O[C@@H]4COC(O)C4)=C(Cl)C=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Taub et al., Chem. Res. Toxicol., 28(1), 2015",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl>[Phase I]>OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1C2=CC(CC(C=C3)=CC=C3O[C@@H]4COC(O)C4)=C(Cl)C=C2 Empagliflozin to Empagliflozin metabolite M466/2,NA
11949646,Empagliflozin,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl,Phase II,169501985,Empagliflozin-glucuronide (M566/1),OC1=CC=C(C=C1)CC2=C(C=CC([C@@]3(O[C@](COC4O[C@H](C(O)=O)[C@H]([C@@H]([C@H]4O)O)O)([C@@](O)([C@](O)([C@]3(O)[H])[H])[H])[H])[H])=C2)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Taub et al., Chem. Res. Toxicol., 28(1), 2015",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl>[Phase II]>OC1=CC=C(C=C1)CC2=C(C=CC([C@@]3(O[C@](COC4O[C@H](C(O)=O)[C@H]([C@@H]([C@H]4O)O)O)([C@@](O)([C@](O)([C@]3(O)[H])[H])[H])[H])[H])=C2)Cl Empagliflozin to Empagliflozin-glucuronide (M566/1),NA
11949646,Empagliflozin,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl,Phase II,169502136,Empagliflozin-2-glucuronide ,[H][C@]1(OC2=CC=C(C=C2)CC3=C(C=CC([C@@]4(O[C@](CO)([C@@](O)(C(O)([C@]4(O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)[H])[H])[H])[H])[H])=C3)Cl)CCOC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl>[Phase II]>[H][C@]1(OC2=CC=C(C=C2)CC3=C(C=CC([C@@]4(O[C@](CO)([C@@](O)(C(O)([C@]4(O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)[H])[H])[H])[H])[H])=C3)Cl)CCOC1 Empagliflozin to Empagliflozin-2-glucuronide ,NA
60877,Emtricitabine,C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F,Phase II,10364982,Emtricitabine-O-glucuronide (M-II),C1[C@H](O[C@H](S1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)N3C=C(C(=NC3=O)N)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F>[Phase II]>C1[C@H](O[C@H](S1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)N3C=C(C(=NC3=O)N)F Emtricitabine to Emtricitabine-O-glucuronide (M-II),NA
60877,Emtricitabine,C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F,Phase I,71316322,(R)-Emtricitabine-3'-sulfoxide (M-III),C1[C@H](O[C@H]([S@@]1=O)CO)N2C=C(C(=NC2=O)N)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F>[Phase I]>C1[C@H](O[C@H]([S@@]1=O)CO)N2C=C(C(=NC2=O)N)F Emtricitabine to (R)-Emtricitabine-3'-sulfoxide (M-III),NA
60877,Emtricitabine,C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F,Phase I,91800100,(S)-Emtricitabine-3'-sulfoxide (M-IV),NC1=NC(=O)N(C=C1F)[C@@H]1C[S@+]([O-])[C@H](CO)O1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F>[Phase I]>NC1=NC(=O)N(C=C1F)[C@@H]1C[S@+]([O-])[C@H](CO)O1 Emtricitabine to (S)-Emtricitabine-3'-sulfoxide (M-IV),NA
60877,Emtricitabine,C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F,Phase I,3366,5-Fluorocytosine (5-FC),O=C1N=C(N)C(F)=CN1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Desmoulin et al., Drug Metab. Dispos., 30(11), 2002",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F>[Phase I]>O=C1N=C(N)C(F)=CN1 Emtricitabine to 5-Fluorocytosine (5-FC),NA
5388962,Enalapril,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O,Phase I,5462501,Enalaprilat,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O>[Phase I]>C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O Enalapril to Enalaprilat,NA
772,Enoxaparin,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O,Phase I,169501852,Enoxaparin-monodesulfate,CC(N[C@@H]1[C@H](C([C@H](O[C@@H]1OC)CO)O[C@H]2[C@@H]([C@H]([C@@H](C(O2)C(O)=O)O[C@@H]3[C@@H]([C@H](C([C@H](O3)COS(=O)(O)=O)O[C@H]4[C@@H]([C@H]([C@@H](C(O4)C(O)=O)O[C@@H]5[C@@H]([C@H](C([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H](C(O6)C(O)=O)O[C@@H]7[C@@H]([C@H](C([C@H](O7)COS(=O)(O)=O)O[C@H]8C([C@H](C=C(O8)C(O)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O>[Phase I]>CC(N[C@@H]1[C@H](C([C@H](O[C@@H]1OC)CO)O[C@H]2[C@@H]([C@H]([C@@H](C(O2)C(O)=O)O[C@@H]3[C@@H]([C@H](C([C@H](O3)COS(=O)(O)=O)O[C@H]4[C@@H]([C@H]([C@@H](C(O4)C(O)=O)O[C@@H]5[C@@H]([C@H](C([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H](C(O6)C(O)=O)O[C@@H]7[C@@H]([C@H](C([C@H](O7)COS(=O)(O)=O)O[C@H]8C([C@H](C=C(O8)C(O)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)=O Enoxaparin to Enoxaparin-monodesulfate,NA
772,Enoxaparin,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O,Phase I,169501786,Enoxaparin-didesulfate,CC(N[C@@H]1[C@H](C([C@H](O[C@@H]1OC)CO)O[C@H]2[C@@H]([C@H]([C@@H](C(O2)C(O)=O)O[C@@H]3[C@@H]([C@H](C([C@H](O3)COS(=O)(O)=O)O[C@H]4[C@@H]([C@H]([C@@H](C(O4)C(O)=O)O[C@@H]5[C@@H]([C@H](C([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H](C(O6)C(O)=O)O[C@@H]7[C@@H]([C@H](C([C@H](O7)CO)O[C@H]8C([C@H](C=C(O8)C(O)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O>[Phase I]>CC(N[C@@H]1[C@H](C([C@H](O[C@@H]1OC)CO)O[C@H]2[C@@H]([C@H]([C@@H](C(O2)C(O)=O)O[C@@H]3[C@@H]([C@H](C([C@H](O3)COS(=O)(O)=O)O[C@H]4[C@@H]([C@H]([C@@H](C(O4)C(O)=O)O[C@@H]5[C@@H]([C@H](C([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H](C(O6)C(O)=O)O[C@@H]7[C@@H]([C@H](C([C@H](O7)CO)O[C@H]8C([C@H](C=C(O8)C(O)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)=O Enoxaparin to Enoxaparin-didesulfate,NA
772,Enoxaparin,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O,Phase I,169502133,Enoxaparin-tridesulfate,CC(N[C@@H]1[C@H](C([C@H](O[C@@H]1OC)CO)O[C@H]2[C@@H]([C@H]([C@@H](C(O2)C(O)=O)O[C@@H]3[C@@H]([C@H](C([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H](C(O4)C(O)=O)O[C@@H]5[C@@H]([C@H](C([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H](C(O6)C(O)=O)O[C@@H]7[C@@H]([C@H](C([C@H](O7)CO)O[C@H]8C([C@H](C=C(O8)C(O)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O>[Phase I]>CC(N[C@@H]1[C@H](C([C@H](O[C@@H]1OC)CO)O[C@H]2[C@@H]([C@H]([C@@H](C(O2)C(O)=O)O[C@@H]3[C@@H]([C@H](C([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H](C(O4)C(O)=O)O[C@@H]5[C@@H]([C@H](C([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H](C(O6)C(O)=O)O[C@@H]7[C@@H]([C@H](C([C@H](O7)CO)O[C@H]8C([C@H](C=C(O8)C(O)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)=O Enoxaparin to Enoxaparin-tridesulfate,NA
772,Enoxaparin,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O,Phase I,169502218,Enoxaparin-tridesulfate depolymerized 1,O[C@H]1[C@@H]([C@H]([C@@H](C(O1)C(O)=O)O[C@@H]2[C@@H]([C@H](C([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H](C(O3)C(O)=O)O[C@@H]4[C@@H]([C@H](C([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H](C(O5)C(O)=O)O[C@@H]6[C@@H]([C@H](C([C@H](O6)CO)O[C@H]7C([C@H](C=C(O7)C(O)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O>[Phase I]>O[C@H]1[C@@H]([C@H]([C@@H](C(O1)C(O)=O)O[C@@H]2[C@@H]([C@H](C([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H](C(O3)C(O)=O)O[C@@H]4[C@@H]([C@H](C([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H](C(O5)C(O)=O)O[C@@H]6[C@@H]([C@H](C([C@H](O6)CO)O[C@H]7C([C@H](C=C(O7)C(O)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O Enoxaparin to Enoxaparin-tridesulfate depolymerized 1,NA
772,Enoxaparin,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O,Phase I,169501788,Enoxaparin-tridesulfate depolymerized 2,O[C@@H]1[C@@H]([C@H](C([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H](C(O2)C(O)=O)O[C@@H]3[C@@H]([C@H](C([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H](C(O4)C(O)=O)O[C@@H]5[C@@H]([C@H](C([C@H](O5)CO)O[C@H]6C([C@H](C=C(O6)C(O)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O>[Phase I]>O[C@@H]1[C@@H]([C@H](C([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H](C(O2)C(O)=O)O[C@@H]3[C@@H]([C@H](C([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H](C(O4)C(O)=O)O[C@@H]5[C@@H]([C@H](C([C@H](O5)CO)O[C@H]6C([C@H](C=C(O6)C(O)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O Enoxaparin to Enoxaparin-tridesulfate depolymerized 2,NA
772,Enoxaparin,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O,Phase I,169501784,Enoxaparin-tridesulfate depolymerized 3,O[C@H]1[C@@H]([C@H]([C@@H](C(O1)C(O)=O)O[C@@H]2[C@@H]([C@H](C([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H](C(O3)C(O)=O)O[C@@H]4[C@@H]([C@H](C([C@H](O4)CO)O[C@H]5C([C@H](C=C(O5)C(O)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O>[Phase I]>O[C@H]1[C@@H]([C@H]([C@@H](C(O1)C(O)=O)O[C@@H]2[C@@H]([C@H](C([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H](C(O3)C(O)=O)O[C@@H]4[C@@H]([C@H](C([C@H](O4)CO)O[C@H]5C([C@H](C=C(O5)C(O)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O)O)O Enoxaparin to Enoxaparin-tridesulfate depolymerized 3,NA
772,Enoxaparin,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O,Phase I,169502058,Enoxaparin-tridesulfate depolymerized 4,O[C@@H]1[C@@H]([C@H](C([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H](C(O2)C(O)=O)O[C@@H]3[C@@H]([C@H](C([C@H](O3)CO)O[C@H]4C([C@H](C=C(O4)C(O)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O>[Phase I]>O[C@@H]1[C@@H]([C@H](C([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H](C(O2)C(O)=O)O[C@@H]3[C@@H]([C@H](C([C@H](O3)CO)O[C@H]4C([C@H](C=C(O4)C(O)=O)O)O)O)NC(C)=O)O)O)O)NC(C)=O Enoxaparin to Enoxaparin-tridesulfate depolymerized 4,NA
772,Enoxaparin,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O,Phase I,169502250,Enoxaparin-tridesulfate depolymerized 5,O[C@H]1[C@@H]([C@H]([C@@H](C(O1)C(O)=O)O[C@@H]2[C@@H]([C@H](C([C@H](O2)CO)O[C@H]3C([C@H](C=C(O3)C(O)=O)O)O)O)NC(C)=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O>[Phase I]>O[C@H]1[C@@H]([C@H]([C@@H](C(O1)C(O)=O)O[C@@H]2[C@@H]([C@H](C([C@H](O2)CO)O[C@H]3C([C@H](C=C(O3)C(O)=O)O)O)O)NC(C)=O)O)O Enoxaparin to Enoxaparin-tridesulfate depolymerized 5,NA
772,Enoxaparin,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O,Phase I,169502172,Enoxaparin-tridesulfate depolymerized 6,O[C@@H]1[C@@H]([C@H](C([C@H](O1)CO)O[C@H]2C([C@H](C=C(O2)C(O)=O)O)O)O)NC(C)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O>[Phase I]>O[C@@H]1[C@@H]([C@H](C([C@H](O1)CO)O[C@H]2C([C@H](C=C(O2)C(O)=O)O)O)O)NC(C)=O Enoxaparin to Enoxaparin-tridesulfate depolymerized 6,NA
772,Enoxaparin,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O,Phase I,169501907,Enoxaparin-tridesulfate depolymerized 7,O[C@H]1C([C@H](C=C(O1)C(O)=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O>[Phase I]>O[C@H]1C([C@H](C=C(O1)C(O)=O)O)O Enoxaparin to Enoxaparin-tridesulfate depolymerized 7,NA
5281081,Entacapone,CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N,Phase I,21864625,cis-Entacapone,CCN(CC)C(=O)/C(=C\C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N>[Phase I]>CCN(CC)C(=O)/C(=C\C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N Entacapone to cis-Entacapone,NA
5281081,Entacapone,CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N,Phase II,74603123,Entacapone-glucuronide (cis and trans),CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O)O)[N+](=O)[O-])C#N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N>[Phase II]>CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O)O)[N+](=O)[O-])C#N Entacapone to Entacapone-glucuronide (cis and trans),NA
15951529,Enzalutamide,CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C,Phase I,156596418,Enzalutamide metabolite M6 (M7),CC1(C)C(N(C2=CC(C(F)(F)F)=C(C#N)C=C2)C(N1C3=CC(F)=C(C(NCO)=O)C=C3)=S)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C>[Phase I]>CC1(C)C(N(C2=CC(C(F)(F)F)=C(C#N)C=C2)C(N1C3=CC(F)=C(C(NCO)=O)C=C3)=S)=O Enzalutamide to Enzalutamide metabolite M6 (M7),NA
15951529,Enzalutamide,CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C,Phase I,46898525,Enzalutamide metabolite M5,CC1(C)C(N(C2=CC(C(F)(F)F)=C(C#N)C=C2)C(N1C3=CC(F)=C(C(O)=O)C=C3)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jiang et al., Drug Des. Devel. Ther., 10(1), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C>[Phase I]>CC1(C)C(N(C2=CC(C(F)(F)F)=C(C#N)C=C2)C(N1C3=CC(F)=C(C(O)=O)C=C3)=O)=O Enzalutamide to Enzalutamide metabolite M5,NA
15951529,Enzalutamide,CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C,Phase I,70678916,N-Desmethylenzalutamide (M2),CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)N)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C>[Phase I]>CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)N)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C Enzalutamide to N-Desmethylenzalutamide (M2),NA
15951529,Enzalutamide,CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C,Phase I,167281172,Enzalutamide metabolite M4,CC1(C)C(N(C2=CC(C(F)(F)F)=C(C#N)C=C2)C(N1C3=CC(F)=C(C(OC)=O)C=C3)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jiang et al., Drug Des. Devel. Ther., 10(1), 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C>[Phase I]>CC1(C)C(N(C2=CC(C(F)(F)F)=C(C#N)C=C2)C(N1C3=CC(F)=C(C(OC)=O)C=C3)=O)=O Enzalutamide to Enzalutamide metabolite M4,NA
15951529,Enzalutamide,CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C,Phase I,46898522,Enzalutamide carboxylic Acid (M1),CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)O)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C>[Phase I]>CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)O)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C Enzalutamide to Enzalutamide carboxylic Acid (M1),NA
5281037,Eprosartan,CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O,Phase II,169502183,Eprosartan-acyl-glucuronide ,CCCCC1NCC(/C=C(\CC2CCCS2)/C(=O)O)N1CC1CCC(CC1)C(=O)OC1C(C(C(C(C(=O)O)O1)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O>[Phase II]>CCCCC1NCC(/C=C(\CC2CCCS2)/C(=O)O)N1CC1CCC(CC1)C(=O)OC1C(C(C(C(C(=O)O)O1)O)O)O Eprosartan to Eprosartan-acyl-glucuronide ,NA
65632,Erdosteine,C1CSC(=O)C1NC(=O)CSCC(=O)O,Phase I,91552,Homocystein,C(CS)[C@@H](C(=O)O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CSC(=O)C1NC(=O)CSCC(=O)O>[Phase I]>C(CS)[C@@H](C(=O)O)N Erdosteine to Homocystein,NA
65632,Erdosteine,C1CSC(=O)C1NC(=O)CSCC(=O)O,Phase I,3078444,N-Thiodiylglycolylhomocystein,C(CS)[C@@H](C(=O)O)NC(=O)CSCC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CSC(=O)C1NC(=O)CSCC(=O)O>[Phase I]>C(CS)[C@@H](C(=O)O)NC(=O)CSCC(=O)O Erdosteine to N-Thiodiylglycolylhomocystein,NA
65632,Erdosteine,C1CSC(=O)C1NC(=O)CSCC(=O)O,Phase I,165598,N-Acetylhomocystein ,CC(=O)N[C@@H](CCS)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CSC(=O)C1NC(=O)CSCC(=O)O>[Phase I]>CC(=O)N[C@@H](CCS)C(=O)O Erdosteine to N-Acetylhomocystein ,NA
146570,Escitalopram,CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,Phase I,40582667,S-Didesmethylcitalopram,C1C2=C(C=CC(=C2)C#N)[C@](O1)(CCCN)C3=CC=C(C=C3)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F>[Phase I]>C1C2=C(C=CC(=C2)C#N)[C@](O1)(CCCN)C3=CC=C(C=C3)F Escitalopram to S-Didesmethylcitalopram,NA
146570,Escitalopram,CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,Phase I,11255350,S-Desmethylcitalopram,CNCCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F>[Phase I]>CNCCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F Escitalopram to S-Desmethylcitalopram,NA
146570,Escitalopram,CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,Phase I,15987231,Escitalopram-N-Oxide,C[N+](C)(CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F>[Phase I]>C[N+](C)(CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)[O-] Escitalopram to Escitalopram-N-Oxide,NA
146570,Escitalopram,CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,Phase I,9944000,Citalopram propionaldehyde,N#CC1=CC(COC2(C3=CC=C(F)C=C3)CCC=O)=C2C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Budău et al., Chirality, 832(1), 2020",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F>[Phase I]>N#CC1=CC(COC2(C3=CC=C(F)C=C3)CCC=O)=C2C=C1 Escitalopram to Citalopram propionaldehyde,NA
146570,Escitalopram,CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,Phase I,11312947,Escitalopram propionic acid,C1C2=C(C=CC(=C2)C#N)[C@](O1)(CCC(=O)O)C3=CC=C(C=C3)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F>[Phase I]>C1C2=C(C=CC(=C2)C#N)[C@](O1)(CCC(=O)O)C3=CC=C(C=C3)F Escitalopram to Escitalopram propionic acid,NA
9568614,Esomeprazole,CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC,Phase I,5311467,Active metabolite of esomeprazole,COC1=CC2=C(C=C1)N=C1N2SCC2=C(C)C(OC)=C(C)C=[N+]12,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC>[Phase I]>COC1=CC2=C(C=C1)N=C1N2SCC2=C(C)C(OC)=C(C)C=[N+]12 Esomeprazole to Active metabolite of esomeprazole,NA
9568614,Esomeprazole,CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC,Phase I,119560,5-Hydroxyesomeprazole,COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(CO)C(OC)=C1C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC>[Phase I]>COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(CO)C(OC)=C1C Esomeprazole to 5-Hydroxyesomeprazole,NA
9568614,Esomeprazole,CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC,Phase I,29918914,5-O-Desmethylomeprazole,CC1=CN=C(C[S@@](C2=NC3=C(C=C(O)C=C3)N2)=O)C(C)=C1OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC>[Phase I]>CC1=CN=C(C[S@@](C2=NC3=C(C=C(O)C=C3)N2)=O)C(C)=C1OC Esomeprazole to 5-O-Desmethylomeprazole,NA
9568614,Esomeprazole,CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC,Phase I,145900,Omeprazole-sulfone,CC1=CN=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC>[Phase I]>CC1=CN=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC Esomeprazole to Omeprazole-sulfone,NA
3291,Ethosuximide,CCC1(CC(=O)NC1=O)C,Phase I + II,169502154,Ethosuximide metabolite V-glucuronide (2-(2-hydroxyethyl)-2-methylsuccinimide-glucuronide),O[C@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)[C@@H]1OCCC2(CC(NC2=O)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Gören et al., CNS Drug Reviews, 13(2), 2007",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(CC(=O)NC1=O)C>[Phase I + II]>O[C@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)[C@@H]1OCCC2(CC(NC2=O)=O)C Ethosuximide to Ethosuximide metabolite V-glucuronide (2-(2-hydroxyethyl)-2-methylsuccinimide-glucuronide),NA
3291,Ethosuximide,CCC1(CC(=O)NC1=O)C,Phase I + II,169501892,Ethosuximide metabolite II-glucuronide (2-(1-hydroxyethyl)-2-methylsuccinimide-glucuronide),O[C@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)[C@@H]1OC(C2(CC(NC2=O)=O)C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Gören et al., CNS Drug Reviews, 13(2), 2007",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(CC(=O)NC1=O)C>[Phase I + II]>O[C@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)[C@@H]1OC(C2(CC(NC2=O)=O)C)C Ethosuximide to Ethosuximide metabolite II-glucuronide (2-(1-hydroxyethyl)-2-methylsuccinimide-glucuronide),NA
3291,Ethosuximide,CCC1(CC(=O)NC1=O)C,Phase I + II,169501958,Ethosuximide metabolite IV-glucuronide (2-ethyl-3-hydroxy-2-methylsuccinimide-glucuronide),CCC1(C)C(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)C(NC1=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Gören et al., CNS Drug Reviews, 13(2), 2007",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(CC(=O)NC1=O)C>[Phase I + II]>CCC1(C)C(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)C(NC1=O)=O Ethosuximide to Ethosuximide metabolite IV-glucuronide (2-ethyl-3-hydroxy-2-methylsuccinimide-glucuronide),NA
3291,Ethosuximide,CCC1(CC(=O)NC1=O)C,Phase I,71365921,Ethosuximide metabolite V (2-(2-hydroxyethyl)-2-methylsuccinimide),CC1(CC(=O)NC1=O)CCO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Millership et al., Eur. J. Drug Metab. Pharmacokinet., 18(4), 1993",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(CC(=O)NC1=O)C>[Phase I]>CC1(CC(=O)NC1=O)CCO Ethosuximide to Ethosuximide metabolite V (2-(2-hydroxyethyl)-2-methylsuccinimide),NA
3291,Ethosuximide,CCC1(CC(=O)NC1=O)C,Phase I,54520268,Ethosuximide metabolite II (2-(1-hydroxyethyl)-2-methylsuccinimide),CC(O)C1(C)CC(NC1=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Millership et al., Eur. J. Drug Metab. Pharmacokinet., 18(4), 1993",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(CC(=O)NC1=O)C>[Phase I]>CC(O)C1(C)CC(NC1=O)=O Ethosuximide to Ethosuximide metabolite II (2-(1-hydroxyethyl)-2-methylsuccinimide),NA
3291,Ethosuximide,CCC1(CC(=O)NC1=O)C,Phase I,101661945,Ethosuximide metabolite III,CC(=O)C1(CC(=O)NC1=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Millership et al., Eur. J. Drug Metab. Pharmacokinet., 18(4), 1993",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(CC(=O)NC1=O)C>[Phase I]>CC(=O)C1(CC(=O)NC1=O)C Ethosuximide to Ethosuximide metabolite III,NA
3291,Ethosuximide,CCC1(CC(=O)NC1=O)C,Phase I,101661944,Ethosuximide metabolite VI (2-(carboxymethyl)-2-methylsuccinimide),O=C(NC1=O)CC1(C)CCC(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Millership et al., Eur. J. Drug Metab. Pharmacokinet., 18(4), 1993",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(CC(=O)NC1=O)C>[Phase I]>O=C(NC1=O)CC1(C)CCC(O)=O Ethosuximide to Ethosuximide metabolite VI (2-(carboxymethyl)-2-methylsuccinimide),NA
3291,Ethosuximide,CCC1(CC(=O)NC1=O)C,Phase I,54322773,Ethosuximide metabolite IV (2-ethyl-3-hydroxy-2-methylsuccinimide),CCC1(C(C(=O)NC1=O)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Millership et al., Eur. J. Drug Metab. Pharmacokinet., 18(4), 1993",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(CC(=O)NC1=O)C>[Phase I]>CCC1(C(C(=O)NC1=O)O)C Ethosuximide to Ethosuximide metabolite IV (2-ethyl-3-hydroxy-2-methylsuccinimide),NA
3308,Etodolac,CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O,Phase I,14112821,7-Hydroxyetodolac,CCC1=C(C=CC2=C1NC3=C2CCOC3(CC)CC(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O>[Phase I]>CCC1=C(C=CC2=C1NC3=C2CCOC3(CC)CC(=O)O)O Etodolac to 7-Hydroxyetodolac,NA
3308,Etodolac,CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O,Phase I,14146232,6-Hydroxyetodolac,CCC1=C2C(=CC(=C1)O)C3=C(N2)C(OCC3)(CC)CC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O>[Phase I]>CCC1=C2C(=CC(=C1)O)C3=C(N2)C(OCC3)(CC)CC(=O)O Etodolac to 6-Hydroxyetodolac,NA
3308,Etodolac,CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O,Phase II,45358980,Etodolac-acyl-glucuronide,CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O>[Phase II]>CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O Etodolac to Etodolac-acyl-glucuronide,NA
123619,Etoricoxib,CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C,Phase I + II,169502166,6-Hydroxymethyletoricoxib-glucuronide,CS(=O)(=O)C1=CC=C(C=C1)C1=C(N=CC(Cl)=C1)C1=CN=C(COC2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C>[Phase I + II]>CS(=O)(=O)C1=CC=C(C=C1)C1=C(N=CC(Cl)=C1)C1=CN=C(COC2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C=C1 Etoricoxib to 6-Hydroxymethyletoricoxib-glucuronide,NA
123619,Etoricoxib,CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C,Phase I,154731560,6-Hydroxymethyletoricoxib-1'-N'-oxide,CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=CC(=C2)Cl)C3=C[N+](=C(C=C3)CO)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C>[Phase I]>CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=CC(=C2)Cl)C3=C[N+](=C(C=C3)CO)[O-] Etoricoxib to 6-Hydroxymethyletoricoxib-1'-N'-oxide,NA
123619,Etoricoxib,CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C,Phase I,44266438,6-Hydroxymethyletoricoxib,CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=CC(=C2)Cl)C3=CN=C(C=C3)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C>[Phase I]>CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=CC(=C2)Cl)C3=CN=C(C=C3)CO Etoricoxib to 6-Hydroxymethyletoricoxib,NA
123619,Etoricoxib,CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C,Phase I,44266508,Etoricoxib-1'-N'-oxide,CC1=[N+](C=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C>[Phase I]>CC1=[N+](C=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C)[O-] Etoricoxib to Etoricoxib-1'-N'-oxide,NA
123619,Etoricoxib,CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C,Phase I,44266451,6-Carboxyetoricoxib,CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=CC(=C2)Cl)C3=CN=C(C=C3)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C>[Phase I]>CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=CC(=C2)Cl)C3=CN=C(C=C3)C(=O)O Etoricoxib to 6-Carboxyetoricoxib,NA
150311,Ezetimibe,C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O,Phase II,9894653,Ezetimibe-glucuronide SCH 60663,C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O>[Phase II]>C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O Ezetimibe to Ezetimibe-glucuronide SCH 60663,NA
150311,Ezetimibe,C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O,Phase I + II,169502242,Ezetimibe metabolite SCH 57871-glucuronide,O[C@@H]1[C@@H](O)C(OC2=CC=C(C=C2)[C@@H]2[C@@H](CCC(=O)C3=CC=C(F)C=C3)C(=O)N2C2=CC=C(F)C=C2)O[C@@H]([C@H]1O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O>[Phase I + II]>O[C@@H]1[C@@H](O)C(OC2=CC=C(C=C2)[C@@H]2[C@@H](CCC(=O)C3=CC=C(F)C=C3)C(=O)N2C2=CC=C(F)C=C2)O[C@@H]([C@H]1O)C(O)=O Ezetimibe to Ezetimibe metabolite SCH 57871-glucuronide,NA
150311,Ezetimibe,C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O,Phase I,169501991,Ezetimibe metabolite SCH 488128,O[C@H]1[C@H](O)C(O[C@@H](CC[C@@H]2[C@H](N(C2=O)C2=CC=C(F)C=C2)C2=CC=C(O)C=C2)C2=CC=C(F)C=C2)O[C@H]([C@@H]1O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O>[Phase I]>O[C@H]1[C@H](O)C(O[C@@H](CC[C@@H]2[C@H](N(C2=O)C2=CC=C(F)C=C2)C2=CC=C(O)C=C2)C2=CC=C(F)C=C2)O[C@H]([C@@H]1O)C(O)=O Ezetimibe to Ezetimibe metabolite SCH 488128,NA
150311,Ezetimibe,C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O,Phase I,9801494,Ezetimibe metabolite SCH 57871,C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CCC(=O)C4=CC=C(C=C4)F)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O>[Phase I]>C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CCC(=O)C4=CC=C(C=C4)F)O Ezetimibe to Ezetimibe metabolite SCH 57871,NA
134018,Febuxostat,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,Phase I,9818975,3-Hydroxyfebuxostat (67M-1),CC(CO)COC1=C(C=C(C=C1)C1=NC(C)=C(S1)C(O)=O)C#N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O>[Phase I]>CC(CO)COC1=C(C=C(C=C1)C1=NC(C)=C(S1)C(O)=O)C#N Febuxostat to 3-Hydroxyfebuxostat (67M-1),NA
134018,Febuxostat,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,Phase I,11956739,2-Hydroxyfebuxostat (67M-2),CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)(C)O)C#N)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O>[Phase I]>CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)(C)O)C#N)C(=O)O Febuxostat to 2-Hydroxyfebuxostat (67M-2),NA
134018,Febuxostat,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,Phase I,11956740,Febuxostat metabolite (67M-4),CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C(=O)O)C#N)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O>[Phase I]>CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C(=O)O)C#N)C(=O)O Febuxostat to Febuxostat metabolite (67M-4),NA
134018,Febuxostat,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,Phase I,66692000,Dehydrated 67M-1,CC1=C(C(O)=O)SC(C2=CC(C#N)=C(OCC(C)=C)C=C2)=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O>[Phase I]>CC1=C(C(O)=O)SC(C2=CC(C#N)=C(OCC(C)=C)C=C2)=N1 Febuxostat to Dehydrated 67M-1,NA
134018,Febuxostat,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,Phase II,71316713,Febuxostat-acyl-glucuronide,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O>[Phase II]>CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O Febuxostat to Febuxostat-acyl-glucuronide,NA
134018,Febuxostat,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,Phase I + II,169501792,Dehydrated 67M-1-glucuronide,CC1=C(C(OC2OC(C(C(C2O)O)O)C(O)=O)=O)SC(C3=CC(C#N)=C(OCC(C)=C)C=C3)=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O>[Phase I + II]>CC1=C(C(OC2OC(C(C(C2O)O)O)C(O)=O)=O)SC(C3=CC(C#N)=C(OCC(C)=C)C=C3)=N1 Febuxostat to Dehydrated 67M-1-glucuronide,NA
134018,Febuxostat,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,Phase I,169501835,Dehydrated 67M-2,CC1C(SC(N1)C2CCC(C(C2)C#N)OC=C(C)C)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O>[Phase I]>CC1C(SC(N1)C2CCC(C(C2)C#N)OC=C(C)C)C(=O)O Febuxostat to Dehydrated 67M-2,NA
134018,Febuxostat,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,Phase I + II,169502093,Febuxostat metabolite M2-glucuronide,CC(COC1=C(C#N)C=C(C2=NC(C)=C(C(O)=O)S2)C=C1)(OC3OC(C(O)=O)C(O)C(O)C3O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O>[Phase I + II]>CC(COC1=C(C#N)C=C(C2=NC(C)=C(C(O)=O)S2)C=C1)(OC3OC(C(O)=O)C(O)C(O)C3O)C Febuxostat to Febuxostat metabolite M2-glucuronide,NA
134018,Febuxostat,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,Phase I + II,169502191,Febuxostat metabolite M1-glucuronide,CC(COC1=C(C#N)C=C(C2=NC(C)=C(C(O)=O)S2)C=C1)COC3OC(C(O)=O)C(O)C(O)C3O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O>[Phase I + II]>CC(COC1=C(C#N)C=C(C2=NC(C)=C(C(O)=O)S2)C=C1)COC3OC(C(O)=O)C(O)C(O)C3O Febuxostat to Febuxostat metabolite M1-glucuronide,NA
134018,Febuxostat,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,Phase I + II,169502237,Febuxostat metabolite M1-sulfate,CC(COC1=C(C#N)C=C(C2=NC(C)=C(C(O)=O)S2)C=C1)COS(=O)(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O>[Phase I + II]>CC(COC1=C(C#N)C=C(C2=NC(C)=C(C(O)=O)S2)C=C1)COS(=O)(O)=O Febuxostat to Febuxostat metabolite M1-sulfate,NA
134018,Febuxostat,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,Phase I + II,169502168,Dehydrated 67M-2-glucuronide,CC1C(SC(N1)C2CCC(C(C2)C#N)OC=C(C)C)C(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O>[Phase I + II]>CC1C(SC(N1)C2CCC(C(C2)C#N)OC=C(C)C)C(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O Febuxostat to Dehydrated 67M-2-glucuronide,NA
3339,Fenofibrate,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,Phase I,64929,Fenofibric acid,CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl>[Phase I]>CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl Fenofibrate to Fenofibric acid,NA
3339,Fenofibrate,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,Phase I,68715,Reduced fenofibric acid,CC(C)(C(=O)O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl>[Phase I]>CC(C)(C(=O)O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O Fenofibrate to Reduced fenofibric acid,NA
3339,Fenofibrate,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,Phase I + II,118753608,Fenofibryl-glucuronide,CC(C)(C(=O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl>[Phase I + II]>CC(C)(C(=O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl Fenofibrate to Fenofibryl-glucuronide,NA
3339,Fenofibrate,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,Phase I + II,118753619,Reduced fenofibric acid-glucuronide,CC(C)(C(=O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)Cl)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl>[Phase I + II]>CC(C)(C(=O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)Cl)O Fenofibrate to Reduced fenofibric acid-glucuronide,NA
3348,Fexofenadine,CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O,Phase I,15723,Azacyclonol (MDL 4829),C1CNCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O>[Phase I]>C1CNCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O Fexofenadine to Azacyclonol (MDL 4829),NA
3348,Fexofenadine,CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O,Phase I,89106375,Fexofenadine-N-oxide,CC(C)(C1=CC=C(C=C1)C(CCC[N+]2(CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)[O-])O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O>[Phase I]>CC(C)(C1=CC=C(C=C1)C(CCC[N+]2(CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)[O-])O)C(=O)O Fexofenadine to Fexofenadine-N-oxide,NA
3354,Flavoxate,CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4,Phase I,446909,Piperidin-1-ylmethanol,OCN1CCCCC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4>[Phase I]>OCN1CCCCC1 Flavoxate to Piperidin-1-ylmethanol,NA
3354,Flavoxate,CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4,Phase I + II,71750357,MFCA-glucuronide (3-Methylflavone-8-carboxylic acid-acyl-β-D-glucuronide),CC1=C(OC2=C(C1=O)C=CC=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=CC=C4,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4>[Phase I + II]>CC1=C(OC2=C(C1=O)C=CC=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=CC=C4 Flavoxate to MFCA-glucuronide (3-Methylflavone-8-carboxylic acid-acyl-β-D-glucuronide),NA
3354,Flavoxate,CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4,Phase I,77016,MFCA (3-Methylflavone-8-carboxylic acid),CC1=C(OC2=C(C1=O)C=CC=C2C(=O)O)C3=CC=CC=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4>[Phase I]>CC1=C(OC2=C(C1=O)C=CC=C2C(=O)O)C3=CC=CC=C3 Flavoxate to MFCA (3-Methylflavone-8-carboxylic acid),NA
3356,Flecainide,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,Phase I + II,169501998,Meta-O-dealkylated-glucuronide,O=C(C1=C(OCC(F)(F)F)C=CC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)=C1)NCC3NCCCC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F>[Phase I + II]>O=C(C1=C(OCC(F)(F)F)C=CC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)=C1)NCC3NCCCC3 Flecainide to Meta-O-dealkylated-glucuronide,NA
3356,Flecainide,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,Phase I,169502077,Meta-O-dealkylated lactam flecainide-sulfate,O=C1NC(CNC(C2=C(OCC(F)(F)F)C=CC(OS(=O)(O)=O)=C2)=O)CCC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F>[Phase I]>O=C1NC(CNC(C2=C(OCC(F)(F)F)C=CC(OS(=O)(O)=O)=C2)=O)CCC1 Flecainide to Meta-O-dealkylated lactam flecainide-sulfate,NA
3356,Flecainide,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,Phase I,134295,Meta-O-dealkylated flecainide,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)O)OCC(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F>[Phase I]>C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)O)OCC(F)(F)F Flecainide to Meta-O-dealkylated flecainide,NA
3356,Flecainide,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,Phase I + II,169502251,Meta-O-dealkylated lactam-glucuronide,O=C(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(C(NCC(N3)CCCC3=O)=O)=C(OCC(F)(F)F)C=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F>[Phase I + II]>O=C(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(C(NCC(N3)CCCC3=O)=O)=C(OCC(F)(F)F)C=C2 Flecainide to Meta-O-dealkylated lactam-glucuronide,NA
3356,Flecainide,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,Phase I + II,169502257,Meta-O-dealkylated flecainide-sulfate,O=C(C1=C(OCC(F)(F)F)C=CC(OS(=O)(O)=O)=C1)NCC2NCCCC2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F>[Phase I + II]>O=C(C1=C(OCC(F)(F)F)C=CC(OS(=O)(O)=O)=C1)NCC2NCCCC2 Flecainide to Meta-O-dealkylated flecainide-sulfate,NA
3356,Flecainide,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,Phase I,10472784,Meta-O-dealkylated lactam,C1CC(NC(=O)C1)CNC(=O)C2=C(C=CC(=C2)O)OCC(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F>[Phase I]>C1CC(NC(=O)C1)CNC(=O)C2=C(C=CC(=C2)O)OCC(F)(F)F Flecainide to Meta-O-dealkylated lactam,NA
21319,Flucloxacillin,CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,Phase I,169502090,5'-Hydroxylmethylflucloxacillin penicilloic acid (5'-HM-FLX-PA),CC1(C)C(C(O)=O)NC(C(NC(C2=C(CO)ON=C2C3=C(F)C=CC=C3Cl)=O)C(O)=O)S1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Dekker et al., Br. J. Pharmacol., 176(3), 2019",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O>[Phase I]>CC1(C)C(C(O)=O)NC(C(NC(C2=C(CO)ON=C2C3=C(F)C=CC=C3Cl)=O)C(O)=O)S1 Flucloxacillin to 5'-Hydroxylmethylflucloxacillin penicilloic acid (5'-HM-FLX-PA),NA
21319,Flucloxacillin,CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,Phase I,23277243,5-Hydroxymethylflucloxacillin (5'-HM-FLX),CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)CO)C(=O)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O>[Phase I]>CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)CO)C(=O)O)C Flucloxacillin to 5-Hydroxymethylflucloxacillin (5'-HM-FLX),NA
21319,Flucloxacillin,CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,Phase I,124930492,Flucloxacillin penicilloic acid (FLX-PA),CC1=C(C(N[C@H](C(O)=O)[C@@H]2N[C@@H](C(O)=O)C(C)(C)S2)=O)C(C3=C(F)C=CC=C3Cl)=NO1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Dekker et al., Br. J. Pharmacol., 176(3), 2019",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O>[Phase I]>CC1=C(C(N[C@H](C(O)=O)[C@@H]2N[C@@H](C(O)=O)C(C)(C)S2)=O)C(C3=C(F)C=CC=C3Cl)=NO1 Flucloxacillin to Flucloxacillin penicilloic acid (FLX-PA),NA
3365,Fluconazole,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,Phase II,71316779,Fluconazole-glucuronide,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O>[Phase II]>C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O Fluconazole to Fluconazole-glucuronide,NA
3365,Fluconazole,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,Phase I,154789972,Fluconazole-N-oxide,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=[N+](C=N3)[O-])O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O>[Phase I]>C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=[N+](C=N3)[O-])O Fluconazole to Fluconazole-N-oxide,NA
3385,Fluorouracil,C1=C(C(=O)NC(=O)N1)F,Phase I,13351,α-Fluoro-ß-alanine (FBAL),C(C(C(=O)O)F)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=C(C(=O)NC(=O)N1)F>[Phase I]>C(C(C(=O)O)F)N Fluorouracil to α-Fluoro-ß-alanine (FBAL),NA
3385,Fluorouracil,C1=C(C(=O)NC(=O)N1)F,Phase I,9427,5-Fluorouridine,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=C(C(=O)NC(=O)N1)F>[Phase I]>C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F Fluorouracil to 5-Fluorouridine,NA
3386,Fluoxetine,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,Phase I,464,Hippuric acid,C1=CC=C(C=C1)C(=O)NCC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F>[Phase I]>C1=CC=C(C=C1)C(=O)NCC(=O)O Fluoxetine to Hippuric acid,NA
3386,Fluoxetine,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,Phase I,4541,Norfluoxetine,C1=CC=C(C=C1)C(CCN)OC2=CC=C(C=C2)C(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F>[Phase I]>C1=CC=C(C=C1)C(CCN)OC2=CC=C(C=C2)C(F)(F)F Fluoxetine to Norfluoxetine,NA
3386,Fluoxetine,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,Phase I,67874,4-Trifluoromethylphenol,C1=CC(=CC=C1C(F)(F)F)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F>[Phase I]>C1=CC(=CC=C1C(F)(F)F)O Fluoxetine to 4-Trifluoromethylphenol,NA
3386,Fluoxetine,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,Phase I,21904167,Fluoxetine formamide,CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)C=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F>[Phase I]>CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)C=O Fluoxetine to Fluoxetine formamide,NA
3386,Fluoxetine,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,Phase I + II,71751199,Norfluoxetine-glucuronide,C1=CC=C(C=C1)C(CCN[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)OC3=CC=C(C=C3)C(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F>[Phase I + II]>C1=CC=C(C=C1)C(CCN[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)OC3=CC=C(C=C3)C(F)(F)F Fluoxetine to Norfluoxetine-glucuronide,NA
3386,Fluoxetine,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,Phase I,72756505,Norfluoxetine alcohol,C1=CC=C(C=C1)C(CCO)OC2=CC=C(C=C2)C(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F>[Phase I]>C1=CC=C(C=C1)C(CCO)OC2=CC=C(C=C2)C(F)(F)F Fluoxetine to Norfluoxetine alcohol,NA
3386,Fluoxetine,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,Phase I,85432033,Norfluoxetine acid,C1=CC=C(C=C1)C(CC(=O)O)OC2=CC=C(C=C2)C(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F>[Phase I]>C1=CC=C(C=C1)C(CC(=O)O)OC2=CC=C(C=C2)C(F)(F)F Fluoxetine to Norfluoxetine acid,NA
3386,Fluoxetine,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,Phase II,154699931,Fluoxetine-glucuronide,CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)C3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F>[Phase II]>CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)C3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O Fluoxetine to Fluoxetine-glucuronide,NA
446155,Fluvastatin,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F,Phase I,124518231,5-Hydroxyfluvastatin,CC(C)N1C2=C(C=C(C=C2)O)C(=C1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C3=CC=C(C=C3)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F>[Phase I]>CC(C)N1C2=C(C=C(C=C2)O)C(=C1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C3=CC=C(C=C3)F Fluvastatin to 5-Hydroxyfluvastatin,NA
446155,Fluvastatin,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F,Phase I,131750726,6-Hydroxyfluvastatin,CC(C)N1C2=C(C=CC(=C2)O)C(=C1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C3=CC=C(C=C3)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F>[Phase I]>CC(C)N1C2=C(C=CC(=C2)O)C(=C1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C3=CC=C(C=C3)F Fluvastatin to 6-Hydroxyfluvastatin,NA
446155,Fluvastatin,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F,Phase I,131750727,N-Desisopropylfluvastatin,C1=CC=C2C(=C1)C(=C(N2)/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C3=CC=C(C=C3)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F>[Phase I]>C1=CC=C2C(=C1)C(=C(N2)/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C3=CC=C(C=C3)F Fluvastatin to N-Desisopropylfluvastatin,NA
446155,Fluvastatin,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F,Phase I + II,169501868,5-Hydroxyfluvastatin-glucuronide,CC(N1C2=CC=C(O)C=C2C(C3=CC=C(F)C=C3)=C1/C=C/[C@@H](O)C[C@@H](O)CC(OC(O[C@H](C(O)=O)[C@H]4O)[C@H](O)C4O)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F>[Phase I + II]>CC(N1C2=CC=C(O)C=C2C(C3=CC=C(F)C=C3)=C1/C=C/[C@@H](O)C[C@@H](O)CC(OC(O[C@H](C(O)=O)[C@H]4O)[C@H](O)C4O)=O)C Fluvastatin to 5-Hydroxyfluvastatin-glucuronide,NA
446155,Fluvastatin,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F,Phase I + II,169502094,6-Hydroxyfluvastatin-sulfate,CC(N1C2=CC(OS(=O)(O)=O)=CC=C2C(C3=CC=C(F)C=C3)=C1/C=C/[C@@H](O)C[C@@H](O)CC(O)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F>[Phase I + II]>CC(N1C2=CC(OS(=O)(O)=O)=CC=C2C(C3=CC=C(F)C=C3)=C1/C=C/[C@@H](O)C[C@@H](O)CC(O)=O)C Fluvastatin to 6-Hydroxyfluvastatin-sulfate,NA
446155,Fluvastatin,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F,Phase I + II,169502121,6-Hydroxyfluvastatin-glucuronide,CC(N1C2=CC(O)=CC=C2C(C3=CC=C(F)C=C3)=C1/C=C/[C@@H](O)C[C@@H](O)CC(OC(O[C@H](C(O)=O)[C@H]4O)[C@H](O)C4O)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F>[Phase I + II]>CC(N1C2=CC(O)=CC=C2C(C3=CC=C(F)C=C3)=C1/C=C/[C@@H](O)C[C@@H](O)CC(OC(O[C@H](C(O)=O)[C@H]4O)[C@H](O)C4O)=O)C Fluvastatin to 6-Hydroxyfluvastatin-glucuronide,NA
446155,Fluvastatin,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F,Phase II,169502180,Fluvastatin-glucuronide,CC(N1C2=CC=CC=C2C(C3=CC=C(F)C=C3)=C1/C=C/[C@@H](O)C[C@@H](O)CC(OC(O[C@H](C(O)=O)[C@H]4O)[C@H](O)C4O)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F>[Phase II]>CC(N1C2=CC=CC=C2C(C3=CC=C(F)C=C3)=C1/C=C/[C@@H](O)C[C@@H](O)CC(OC(O[C@H](C(O)=O)[C@H]4O)[C@H](O)C4O)=O)C Fluvastatin to Fluvastatin-glucuronide,NA
446155,Fluvastatin,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F,Phase I + II,169502281,5-Hydroxyfluvastatin-sulfate,CC(N1C2=CC=C(OS(=O)(O)=O)C=C2C(C3=CC=C(F)C=C3)=C1/C=C/[C@@H](O)C[C@@H](O)CC(O)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F>[Phase I + II]>CC(N1C2=CC=C(OS(=O)(O)=O)C=C2C(C3=CC=C(F)C=C3)=C1/C=C/[C@@H](O)C[C@@H](O)CC(O)=O)C Fluvastatin to 5-Hydroxyfluvastatin-sulfate,NA
5324346,Fluvoxamine,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F,Phase I,10313784,Fluvoxamino acid/Fluvoxamine metabolite B,C1=CC(=CC=C1/C(=N\OCCN)/CCCC(=O)O)C(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F>[Phase I]>C1=CC(=CC=C1/C(=N\OCCN)/CCCC(=O)O)C(F)(F)F Fluvoxamine to Fluvoxamino acid/Fluvoxamine metabolite B,NA
5324346,Fluvoxamine,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F,Phase I,18462343,Fluvoxamine metabolite G,COCCCC/C(=N/O)/C1=CC=C(C=C1)C(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F>[Phase I]>COCCCC/C(=N/O)/C1=CC=C(C=C1)C(F)(F)F Fluvoxamine to Fluvoxamine metabolite G,NA
5324346,Fluvoxamine,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F,Phase I,24727026,Fluvoxamine metabolite C3,OC(CCCC(C1=CC=C(C(F)(F)F)C=C1)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F>[Phase I]>OC(CCCC(C1=CC=C(C(F)(F)F)C=C1)=O)=O Fluvoxamine to Fluvoxamine metabolite C3,NA
5324346,Fluvoxamine,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F,Phase I,46781165,Fluvoxamino alcohol/Desmethylfluvoxamine,C1=CC(=CC=C1/C(=N/OCCN)/CCCCO)C(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F>[Phase I]>C1=CC(=CC=C1/C(=N/OCCN)/CCCCO)C(F)(F)F Fluvoxamine to Fluvoxamino alcohol/Desmethylfluvoxamine,NA
5324346,Fluvoxamine,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F,Phase I,92034990,Fluvoxamine metabolite E,FC(F)(F)C(C=C1)=CC=C1/C(CCCCOC)=N/OCC(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F>[Phase I]>FC(F)(F)C(C=C1)=CC=C1/C(CCCCOC)=N/OCC(O)=O Fluvoxamine to Fluvoxamine metabolite E,NA
5324346,Fluvoxamine,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F,Phase I,95162030,Fluvoxamine metabolite D,CC(=O)NCCO/N=C(/CCCC(=O)O)\C1=CC=C(C=C1)C(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F>[Phase I]>CC(=O)NCCO/N=C(/CCCC(=O)O)\C1=CC=C(C=C1)C(F)(F)F Fluvoxamine to Fluvoxamine metabolite D,NA
5324346,Fluvoxamine,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F,Phase I,154032615,Fluvoxamine metabolite F2,COCCCC/C(=N/OCCO)/C1=CC=C(C=C1)C(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F>[Phase I]>COCCCC/C(=N/OCCO)/C1=CC=C(C=C1)C(F)(F)F Fluvoxamine to Fluvoxamine metabolite F2,NA
5324346,Fluvoxamine,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F,Phase I,169501804,Fluvoxamine metabolite C2,C(C/C(=N\OCCO)/C1CCC(CC1)C(F)(F)F)CC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F>[Phase I]>C(C/C(=N\OCCO)/C1CCC(CC1)C(F)(F)F)CC(=O)O Fluvoxamine to Fluvoxamine metabolite C2,NA
5324346,Fluvoxamine,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F,Phase I,169501941,Fluvoxamine metabolite C1,C(C/C(=N\O)/C1CCC(CC1)C(F)(F)F)CC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F>[Phase I]>C(C/C(=N\O)/C1CCC(CC1)C(F)(F)F)CC(=O)O Fluvoxamine to Fluvoxamine metabolite C1,NA
5324346,Fluvoxamine,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F,Phase I,169502002,Fluvoxamine metabolite A1,C(C/C(=N\OCC(=O)O)/C1CCC(CC1)C(F)(F)F)CC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F>[Phase I]>C(C/C(=N\OCC(=O)O)/C1CCC(CC1)C(F)(F)F)CC(=O)O Fluvoxamine to Fluvoxamine metabolite A1,NA
3440,Furosemide,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,Phase I,76523,4-Chloro-5-sulfamoylanthranilic acid,C1=C(C(=CC(=C1S(=O)(=O)N)Cl)N)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl>[Phase I]>C1=C(C(=CC(=C1S(=O)(=O)N)Cl)N)C(=O)O Furosemide to 4-Chloro-5-sulfamoylanthranilic acid,NA
3440,Furosemide,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,Phase II,21123459,Furosemide-acyl-glucuronide,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)S(=O)(=O)N)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl>[Phase II]>C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)S(=O)(=O)N)Cl Furosemide to Furosemide-acyl-glucuronide,NA
3463,Gemfibrozil,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,Phase I,10445630,Gemfibrozil metabolite M2,CC1=CC(=C(C=C1OCCCC(C)(C)C(=O)O)C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O>[Phase I]>CC1=CC(=C(C=C1OCCCC(C)(C)C(=O)O)C)O Gemfibrozil to Gemfibrozil metabolite M2,NA
3463,Gemfibrozil,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,Phase II,45039339,Gemfibrozil-1-O-β-glucuronide,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O>[Phase II]>CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O Gemfibrozil to Gemfibrozil-1-O-β-glucuronide,NA
3463,Gemfibrozil,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,Phase I,71373063,Gemfibrozil metabolite M1,CC1=C(C=C(C=C1)CO)OCCCC(C)(C)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O>[Phase I]>CC1=C(C=C(C=C1)CO)OCCCC(C)(C)C(=O)O Gemfibrozil to Gemfibrozil metabolite M1,NA
3463,Gemfibrozil,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,Phase I + II,169502261,Hydroxygemfibrozil-glucuronide (hydroxylations at different positions possible),CC1=CC(OCCCC(C)(C(OC2C(O)C(O)C(O)C(C(O)=O)O2)=O)C)=C(C)C=C1O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ogilvie et al., Drug Metab. Dispos., 34(1), 2006",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O>[Phase I + II]>CC1=CC(OCCCC(C)(C(OC2C(O)C(O)C(O)C(C(O)=O)O2)=O)C)=C(C)C=C1O Gemfibrozil to Hydroxygemfibrozil-glucuronide (hydroxylations at different positions possible),NA
3475,Gliclazide,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,Phase I,44582375,6-β-Hydroxygliclazide,[H][C@@]1(O)CC[C@@]2([H])CN(C[C@@]12[H])N=C(O)NS(=O)(=O)C1=CC=C(C)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2>[Phase I]>[H][C@@]1(O)CC[C@@]2([H])CN(C[C@@]12[H])N=C(O)NS(=O)(=O)C1=CC=C(C)C=C1 Gliclazide to 6-β-Hydroxygliclazide,NA
3475,Gliclazide,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,Phase I,44582376,Methylhydroxygliclazide,[H][C@@]12CCC[C@]1([H])CN(C2)N=C(O)NS(=O)(=O)C1=CC=C(CO)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2>[Phase I]>[H][C@@]12CCC[C@]1([H])CN(C2)N=C(O)NS(=O)(=O)C1=CC=C(CO)C=C1 Gliclazide to Methylhydroxygliclazide,NA
3475,Gliclazide,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,Phase I,96359739,Carboxygliclazide,[H][C@@]12CCC[C@]1([H])CN(C2)NC(=O)NS(=O)(=O)C1=CC=C(C=C1)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2>[Phase I]>[H][C@@]12CCC[C@]1([H])CN(C2)NC(=O)NS(=O)(=O)C1=CC=C(C=C1)C(O)=O Gliclazide to Carboxygliclazide,NA
3475,Gliclazide,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,Phase I,124518230,6-α-Hydroxygliclazide,[H][C@@]12CC[C@H](O)[C@]1([H])CN(C2)NC(=O)NS(=O)(=O)C1=CC=C(C)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2>[Phase I]>[H][C@@]12CC[C@H](O)[C@]1([H])CN(C2)NC(=O)NS(=O)(=O)C1=CC=C(C)C=C1 Gliclazide to 6-α-Hydroxygliclazide,NA
3475,Gliclazide,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,Phase I,125116815,7-α-Hydroxygliclazide,[H][C@@]12C[C@H](O)C[C@]1([H])CN(C2)NC(=O)NS(=O)(=O)C1=CC=C(C)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2>[Phase I]>[H][C@@]12C[C@H](O)C[C@]1([H])CN(C2)NC(=O)NS(=O)(=O)C1=CC=C(C)C=C1 Gliclazide to 7-α-Hydroxygliclazide,NA
3475,Gliclazide,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,Phase I,125116815,7-β-Hydroxygliclazide,[H][C@]1(O)C[C@]2([H])CN(C[C@]2([H])C1)N=C(O)NS(=O)(=O)C1=CC=C(C)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2>[Phase I]>[H][C@]1(O)C[C@]2([H])CN(C[C@]2([H])C1)N=C(O)NS(=O)(=O)C1=CC=C(C)C=C1 Gliclazide to 7-β-Hydroxygliclazide,NA
3475,Gliclazide,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,Phase I + II,169502004,"Gliclazide metabolite MH-1-glucuronide, at 6 position",CC1=CC=C(S(=O)(NC(NN2CC3C(OC4OC(C(O)=O)C(O)C(O)C4O)CCC3C2)=O)=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2>[Phase I + II]>CC1=CC=C(S(=O)(NC(NN2CC3C(OC4OC(C(O)=O)C(O)C(O)C4O)CCC3C2)=O)=O)C=C1 Gliclazide to Gliclazide metabolite MH-1-glucuronide, at 6 position",NA
3475,Gliclazide,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,Phase I + II,169502072,"Gliclazide metabolite MH-1-glucuronide, at 7 position",OC(C1OC(O[C@]2(C[C@@]3(CN(N=C(NS(=O)(C4=CC=C(C=C4)C)=O)O)C[C@@]3(C2)[H])[H])[H])C(O)C(O)C1O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2>[Phase I + II]>OC(C1OC(O[C@]2(C[C@@]3(CN(N=C(NS(=O)(C4=CC=C(C=C4)C)=O)O)C[C@@]3(C2)[H])[H])[H])C(O)C(O)C1O)=O Gliclazide to Gliclazide metabolite MH-1-glucuronide, at 7 position",NA
3516,Guaifenesin,COC1=CC=CC=C1OCC(CO)O,Phase I,89231,O-Desmethylguaifenesin,OC1=CC=CC=C1OCC(O)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC=CC=C1OCC(CO)O>[Phase I]>OC1=CC=CC=C1OCC(O)CO Guaifenesin to O-Desmethylguaifenesin,NA
3516,Guaifenesin,COC1=CC=CC=C1OCC(CO)O,Phase I,151727,β-(2-Methoxyphenoxy)-lactic acid,COC1=CC=CC=C1OCC(C(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC=CC=C1OCC(CO)O>[Phase I]>COC1=CC=CC=C1OCC(C(=O)O)O Guaifenesin to β-(2-Methoxyphenoxy)-lactic acid,NA
3516,Guaifenesin,COC1=CC=CC=C1OCC(CO)O,Phase I,56619534,Hydroxy-O-desmethylguaifenesin,OC1=CC=CC=C1OCC(C(O)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC=CC=C1OCC(CO)O>[Phase I]>OC1=CC=CC=C1OCC(C(O)=O)O Guaifenesin to Hydroxy-O-desmethylguaifenesin,NA
10621,Hesperidin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I,11095,Eriodicytol,C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jin et al., J. Toxicol. Environ. Health Part A, 73, 2010",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I]>C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O Hesperidin to Eriodicytol,NA
10621,Hesperidin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I,72281,Hesperitin,COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jin et al., J. Toxicol. Environ. Health Part A, 73, 2010",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I]>COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O Hesperidin to Hesperitin,NA
10621,Hesperidin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I,73635,Homoeriodictyol,COC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jin et al., J. Toxicol. Environ. Health Part A, 73, 2010",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I]>COC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O Hesperidin to Homoeriodictyol,NA
10621,Hesperidin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I + II,124258,Eriodictyol-7-glucuronide,C1[C@@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC(=C(C=C4)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jin et al., J. Toxicol. Environ. Health Part A, 73, 2010",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I + II]>C1[C@@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC(=C(C=C4)O)O Hesperidin to Eriodictyol-7-glucuronide,NA
10621,Hesperidin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I + II,46896123,Hesperetin-3'-O-glucuronide,COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jin et al., J. Toxicol. Environ. Health Part A, 73, 2010",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I + II]>COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O Hesperidin to Hesperetin-3'-O-glucuronide,NA
10621,Hesperidin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I + II,131750809,Hesperetin-7-O-glucuronide,COC1=C(C=C(C=C1)C2COC3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jin et al., J. Toxicol. Environ. Health Part A, 73, 2010",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I + II]>COC1=C(C=C(C=C1)C2COC3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O Hesperidin to Hesperetin-7-O-glucuronide,NA
10621,Hesperidin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I + II,169501838,Hesperitin-glucuronide,COC1=C(O)C=C(C2COC3=C(OC4OC(C(O)=O)C(O)C(O)C4O)C=C(O)C=C3O2)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jin et al., J. Toxicol. Environ. Health Part A, 73, 2010",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I + II]>COC1=C(O)C=C(C2COC3=C(OC4OC(C(O)=O)C(O)C(O)C4O)C=C(O)C=C3O2)C=C1 Hesperidin to Hesperitin-glucuronide,NA
10621,Hesperidin,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O,Phase I + II,169501846,Homoeriodictyol-7-O-glucuronide,COC1=C(O)C=CC(=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jin et al., J. Toxicol. Environ. Health Part A, 73, 2010",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O>[Phase I + II]>COC1=C(O)C=CC(=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2O Hesperidin to Homoeriodictyol-7-O-glucuronide,NA
3639,Hydrochlorthiazide,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,Phase I,67136,"4-Amino-6-chloro-1,3-benzenedisulfonamide",C1=C(C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl>[Phase I]>C1=C(C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N)N Hydrochlorthiazide to 4-Amino-6-chloro-1,3-benzenedisulfonamide",NA
3639,Hydrochlorthiazide,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,Phase I,2720,Chlorthiazide,C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl>[Phase I]>C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2 Hydrochlorthiazide to Chlorthiazide,NA
3657,Hydroxycarbamide,C(=O)(N)NO,Phase I,787,Hydroxylamine,NO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C(=O)(N)NO>[Phase I]>NO Hydroxycarbamide to Hydroxylamine,NA
3657,Hydroxycarbamide,C(=O)(N)NO,Phase I,1176,Urea,C(=O)(N)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C(=O)(N)NO>[Phase I]>C(=O)(N)N Hydroxycarbamide to Urea,NA
3652,Hydroxychloroquine,CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO,Phase I,71826,Desethylhydroxychloroquine (Cletoquine),CC(CCCNCCO)NC1=C2C=CC(=CC2=NC=C1)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO>[Phase I]>CC(CCCNCCO)NC1=C2C=CC(=CC2=NC=C1)Cl Hydroxychloroquine to Desethylhydroxychloroquine (Cletoquine),NA
3652,Hydroxychloroquine,CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO,Phase I,122672,Didesethylchloroquine,CC(CCCN)NC1=C2C=CC(=CC2=NC=C1)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO>[Phase I]>CC(CCCN)NC1=C2C=CC(=CC2=NC=C1)Cl Hydroxychloroquine to Didesethylchloroquine,NA
3652,Hydroxychloroquine,CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO,Phase I,95478,Desethylchloroquine,CCNCCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO>[Phase I]>CCNCCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl Hydroxychloroquine to Desethylchloroquine,NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase I + II,172869343,Ibrutinib-sulfenic acid,OSCCC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Rood et al., Investigational New Drugs, 39(1), 2021",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase I + II]>OSCCC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N Ibrutinib to Ibrutinib-sulfenic acid,NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase I,58223272,Ibrutinib metabolite PCI-7503 (M23),C1C[C@H](CNC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase I]>C1C[C@H](CNC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N Ibrutinib to Ibrutinib metabolite PCI-7503 (M23),NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase I,91971609,"Dihydrodiolibrutinib (PCI-45227, M37)",C1C[C@H](CN(C1)C(=O)C(CO)O)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase I]>C1C[C@H](CN(C1)C(=O)C(CO)O)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N Ibrutinib to Dihydrodiolibrutinib (PCI-45227, M37)",NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase I,133082586,Ibrutinib metabolite PCI-45752 (M34),C=CC(=O)NC[C@@H](CCCO)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)OC4=CC=CC=C4)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase I]>C=CC(=O)NC[C@@H](CCCO)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)OC4=CC=CC=C4)N Ibrutinib to Ibrutinib metabolite PCI-45752 (M34),NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase I,135390715,Ibrutinib metabolite PCI-45741 (M25),C=CC(=O)NC[C@@H](CCC(=O)O)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)OC4=CC=CC=C4)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase I]>C=CC(=O)NC[C@@H](CCC(=O)O)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)OC4=CC=CC=C4)N Ibrutinib to Ibrutinib metabolite PCI-45741 (M25),NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase I,154688569,Desacrylibrutininb ,CN1CCC[C@@H](N2C3=NC=NC(N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Rood et al., Investigational New Drugs, 39(1), 2021",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase I]>CN1CCC[C@@H](N2C3=NC=NC(N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)C1 Ibrutinib to Desacrylibrutininb ,NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase II,169501789,Ibrutinib metabolite PCI-48303 (M26),NC(CCC(=O)NC(CSC(=O)N1CCC[C@H](C1)N1N=C(C2=C1N=CN=C2N)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)NCC(O)=O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase II]>NC(CCC(=O)NC(CSC(=O)N1CCC[C@H](C1)N1N=C(C2=C1N=CN=C2N)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)NCC(O)=O)C(O)=O Ibrutinib to Ibrutinib metabolite PCI-48303 (M26),NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase I,169501890,Ibrutinib metabolite PCI-45773 (M35) (hydroxylation at different positions possible),NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=C(O)C=C4)=NN2[C@@H]5CCCN(C(C=C)=O)C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase I]>NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=C(O)C=C4)=NN2[C@@H]5CCCN(C(C=C)=O)C5 Ibrutinib to Ibrutinib metabolite PCI-45773 (M35) (hydroxylation at different positions possible),NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase I,169502046,Ibrutinib metabolite M20 (hydroxylation at different alkyl chain positions possible),NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2[C@@H](CNC(C=C)=O)C(O)CC(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase I]>NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2[C@@H](CNC(C=C)=O)C(O)CC(O)=O Ibrutinib to Ibrutinib metabolite M20 (hydroxylation at different alkyl chain positions possible),NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase I,169502070,Ibrutinib metabolite M24,NC1=NC=NC2=C1C(=NN2[C@H](CCCO)CNC(=O)C(O)O)C1=CC=C(OC2=CC=CC=C2)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase I]>NC1=NC=NC2=C1C(=NN2[C@H](CCCO)CNC(=O)C(O)O)C1=CC=C(OC2=CC=CC=C2)C=C1 Ibrutinib to Ibrutinib metabolite M24,NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase I + II,169502118,Ibrutininb metabolite M7 (M17-sulfate),NC1=NC=NC2=C1C(C3=CC=C(OC4=CC=C(C=C4)OS(=O)(O)=O)C=C3)=NN2[C@H](CCCO)CNC(C=C)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Scheers et al., Drug Metab. Dispos., 43, 2015",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase I + II]>NC1=NC=NC2=C1C(C3=CC=C(OC4=CC=C(C=C4)OS(=O)(O)=O)C=C3)=NN2[C@H](CCCO)CNC(C=C)=O Ibrutinib to Ibrutininb metabolite M7 (M17-sulfate),NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase I + II,169502202,Ibrutinib mercapturic acid,NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=N4)C(N4[C@@H](C5)CCCN5C(CCSC[C@H](NC(C)=O)C(O)=O)=O)=NC=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Rood et al., Investigational New Drugs, 39(1), 2021",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase I + II]>NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=N4)C(N4[C@@H](C5)CCCN5C(CCSC[C@H](NC(C)=O)C(O)=O)=O)=NC=N1 Ibrutinib to Ibrutinib mercapturic acid,NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase I + II,169502213,Ibrutinib-S-glucuronide,NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=N4)C(N4[C@@H](C5)CCCN5C(CCSC6O[C@H](C(O)=O)[C@H]([C@@H]([C@H]6O)O)O)=O)=NC=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Rood et al., Investigational New Drugs, 39(1), 2021",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase I + II]>NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=N4)C(N4[C@@H](C5)CCCN5C(CCSC6O[C@H](C(O)=O)[C@H]([C@@H]([C@H]6O)O)O)=O)=NC=N1 Ibrutinib to Ibrutinib-S-glucuronide,NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase I,169502217,Ibrutininb metabolite M29 (hydroxylation at different positions possible),C=CC(NC[C@H](N1C2=NC=NC(N)=C2C(C3=CC=C(OC4=CC=CC=C4)C=C3)=N1)C(O)CCO)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Scheers et al., Drug Metab. Dispos., 43, 2015",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase I]>C=CC(NC[C@H](N1C2=NC=NC(N)=C2C(C3=CC=C(OC4=CC=CC=C4)C=C3)=N1)C(O)CCO)=O Ibrutinib to Ibrutininb metabolite M29 (hydroxylation at different positions possible),NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase I,169502221,Ibrutinib metabolite M17 (hydroxylation at different positions possible),NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=C(O)C=C4)=NN2[C@@H](CNC(C=C)=O)CCCO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase I]>NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=C(O)C=C4)=NN2[C@@H](CNC(C=C)=O)CCCO Ibrutinib to Ibrutinib metabolite M17 (hydroxylation at different positions possible),NA
24821094,Ibrutinib,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N,Phase I + II,169502246,Methylthioibrutinib,NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=N4)C(N4[C@@H](C5)CCCN5C(CCSC)=O)=NC=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Rood et al., Investigational New Drugs, 39(1), 2021",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N>[Phase I + II]>NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=N4)C(N4[C@@H](C5)CCCN5C(CCSC)=O)=NC=N1 Ibrutinib to Methylthioibrutinib,NA
3672,Ibuprofen,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,Phase II,163959,Ibuprofen-acyl-glucuronide,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O>[Phase II]>CC(C)CC1=CC=C(C=C1)C(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O Ibuprofen to Ibuprofen-acyl-glucuronide,NA
3672,Ibuprofen,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,Phase I,10443535,2-Hydroxyibuprofen,CC(C1=CC=C(C=C1)CC(C)(C)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O>[Phase I]>CC(C1=CC=C(C=C1)CC(C)(C)O)C(=O)O Ibuprofen to 2-Hydroxyibuprofen,NA
3672,Ibuprofen,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,Phase I,71312545,3-Hydroxyibuprofen,CC(CO)CC1=CC=C(C=C1)C(C)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O>[Phase I]>CC(CO)CC1=CC=C(C=C1)C(C)C(O)=O Ibuprofen to 3-Hydroxyibuprofen,NA
3672,Ibuprofen,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,Phase I,45117195,1-Hydroxyibuprofen,CC(C)C(C1=CC=C(C=C1)C(C)C(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O>[Phase I]>CC(C)C(C1=CC=C(C=C1)C(C)C(=O)O)O Ibuprofen to 1-Hydroxyibuprofen,NA
3672,Ibuprofen,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,Phase I,10444113,2-Carboxyibuprofen,CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O>[Phase I]>CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O Ibuprofen to 2-Carboxyibuprofen,NA
3672,Ibuprofen,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,Phase I,10444113,Ibuprofen carboxylic acid,CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O>[Phase I]>CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O Ibuprofen to Ibuprofen carboxylic acid,NA
3749,Irbesartan,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,Phase II,169501862,Irbesartan metabolite M8,CCCCC1=NC2(C(N1CC3=CC=C(C4=CC=CC=C4C5=NN[N+]([C@@H]6O[C@H](C(O)=O)[C@H]([C@@H]([C@H]6O)O)O)=N5)C=C3)=O)CCCC2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5>[Phase II]>CCCCC1=NC2(C(N1CC3=CC=C(C4=CC=CC=C4C5=NN[N+]([C@@H]6O[C@H](C(O)=O)[C@H]([C@@H]([C@H]6O)O)O)=N5)C=C3)=O)CCCC2 Irbesartan to Irbesartan metabolite M8,NA
3749,Irbesartan,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,Phase I,101944491,Irbesartan metabolite M1,CC(CCC1=NC2(CCC(C2)O)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5>[Phase I]>CC(CCC1=NC2(CCC(C2)O)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)O Irbesartan to Irbesartan metabolite M1,NA
3749,Irbesartan,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,Phase I,101944492,Irbesartan metabolite M2,CC(=O)CCC1=NC2(CCC(C2)O)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5>[Phase I]>CC(=O)CCC1=NC2(CCC(C2)O)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 Irbesartan to Irbesartan metabolite M2,NA
3749,Irbesartan,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,Phase I,154700101,Irbesartan metabolite M4,CC(CCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5>[Phase I]>CC(CCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)O Irbesartan to Irbesartan metabolite M4,NA
3749,Irbesartan,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,Phase I,101944494,Irbesartan metabolite M5/7,CCCCC1=NC2(CCC(O)C2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5>[Phase I]>CCCCC1=NC2(CCC(O)C2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1 Irbesartan to Irbesartan metabolite M5/7,NA
3749,Irbesartan,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,Phase I,91800165,Irbesartan metabolite M6,CC(=O)CCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5>[Phase I]>CC(=O)CCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 Irbesartan to Irbesartan metabolite M6,NA
3749,Irbesartan,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,Phase I,11676932,Irbesartan metabolite M3,OC(=O)CCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5>[Phase I]>OC(=O)CCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1 Irbesartan to Irbesartan metabolite M3,NA
3749,Irbesartan,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,Phase I,19388302,Valsartan acid,C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5>[Phase I]>C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3 Irbesartan to Valsartan acid,NA
3749,Irbesartan,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,Phase I,68617604,Irbesartan metabolite SR49498,CCCCC(=O)NC1(CCCC1)C(=O)NCC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5>[Phase I]>CCCCC(=O)NC1(CCCC1)C(=O)NCC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4 Irbesartan to Irbesartan metabolite SR49498,NA
6883,Isosorbide Dinitrate,C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-],Phase I,5780,D-Sorbitol,C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-]>[Phase I]>C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O Isosorbide Dinitrate to D-Sorbitol,NA
6883,Isosorbide Dinitrate,C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-],Phase I,27661,Isosorbide-5-nitrate (IS-5-N),C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-]>[Phase I]>C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O Isosorbide Dinitrate to Isosorbide-5-nitrate (IS-5-N),NA
6883,Isosorbide Dinitrate,C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-],Phase I,62989,Isosorbide-2-nitrate (IS-2-N),C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-]>[Phase I]>C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O Isosorbide Dinitrate to Isosorbide-2-nitrate (IS-2-N),NA
6883,Isosorbide Dinitrate,C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-],Phase I + II,62991,Isosorbide-5-nitrate-glucuronide,O=[N+]([O-])O[C@H](CO1)[C@@H]2[C@H]1[C@@H](OC3OC(C(O)=O)C(O)C(O)C3O)CO2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-]>[Phase I + II]>O=[N+]([O-])O[C@H](CO1)[C@@H]2[C@H]1[C@@H](OC3OC(C(O)=O)C(O)C(O)C3O)CO2 Isosorbide Dinitrate to Isosorbide-5-nitrate-glucuronide,NA
6883,Isosorbide Dinitrate,C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-],Phase I + II,169501832,Isosorbide-diglucuronide,OC(C(O)C1O)C(C(O)=O)OC1O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC4C(O)C(O)C(O)C(C(O)=O)O4,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-]>[Phase I + II]>OC(C(O)C1O)C(C(O)=O)OC1O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC4C(O)C(O)C(O)C(C(O)=O)O4 Isosorbide Dinitrate to Isosorbide-diglucuronide,NA
6883,Isosorbide Dinitrate,C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-],Phase I + II,169501993,Isosorbide-2-nitrate-glucuronide,O=[N+]([O-])O[C@@H](CO1)[C@@H]2[C@H]1[C@H](OC3OC(C(O)=O)C(O)C(O)C3O)CO2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-]>[Phase I + II]>O=[N+]([O-])O[C@@H](CO1)[C@@H]2[C@H]1[C@H](OC3OC(C(O)=O)C(O)C(O)C3O)CO2 Isosorbide Dinitrate to Isosorbide-2-nitrate-glucuronide,NA
5282379,Isotretinoin,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C,Phase I,6438629,4-Hydroxy-all-trans-retinoic acid,CC1=C(C(CCC1O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C>[Phase I]>CC1=C(C(CCC1O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C Isotretinoin to 4-Hydroxy-all-trans-retinoic acid,NA
5282379,Isotretinoin,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C,Phase I,102461799,4-Hydroxy-13-cis-retinoic acid,CC1=C(C(CCC1O)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C>[Phase I]>CC1=C(C(CCC1O)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C Isotretinoin to 4-Hydroxy-13-cis-retinoic acid,NA
5282379,Isotretinoin,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C,Phase I,6437063,4-Oxo-all-trans-retinoic acid,CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C>[Phase I]>CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C Isotretinoin to 4-Oxo-all-trans-retinoic acid,NA
5282379,Isotretinoin,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C,Phase I,6437087,4-Oxo-13-cis-retinoic acid,CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C>[Phase I]>CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C Isotretinoin to 4-Oxo-13-cis-retinoic acid,NA
5282379,Isotretinoin,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C,Phase I,9972939,4-Keto-9-cis-retinoic acid,CC1=C(C(CCC1=O)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C>[Phase I]>CC1=C(C(CCC1=O)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C Isotretinoin to 4-Keto-9-cis-retinoic acid,NA
5282379,Isotretinoin,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C,Phase I,444795,all-trans-Retinoic acid/Tretinoin,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C>[Phase I]>CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C Isotretinoin to all-trans-Retinoic acid/Tretinoin,NA
5282379,Isotretinoin,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C,Phase I,449171,9-cis-Retinoic-acid/Alitretinoin,CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C>[Phase I]>CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C Isotretinoin to 9-cis-Retinoic-acid/Alitretinoin,NA
3869,Labetalol,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,Phase I,12814789,Labetalol-hydroxylated metabolite (IV),CC(CCC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O>[Phase I]>CC(CCC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)C(=O)N)O Labetalol to Labetalol-hydroxylated metabolite (IV),NA
3869,Labetalol,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,Phase II,137553860,Labetalol-benzyl-glucuronide metabolite (II),CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O>[Phase II]>CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O Labetalol to Labetalol-benzyl-glucuronide metabolite (II),NA
3869,Labetalol,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,Phase I + II,137553861,Labetalol-phenolic-glucuronide metabolite (V),CC(CCC1=CC=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NCC(C3=CC(=C(C=C3)O)C(=O)N)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O>[Phase I + II]>CC(CCC1=CC=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NCC(C3=CC(=C(C=C3)O)C(=O)N)O Labetalol to Labetalol-phenolic-glucuronide metabolite (V),NA
3869,Labetalol,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,Phase I,137553862,Labetalol-3-hydroxylated metabolite (VI),CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C(=C2)O)O)C(=O)N)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O>[Phase I]>CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C(=C2)O)O)C(=O)N)O Labetalol to Labetalol-3-hydroxylated metabolite (VI),NA
3869,Labetalol,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,Phase I + II,137553863,Labetalol-C1'-glucuronidated metabolite (VII),CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C(=C2)O)O)C(=O)N)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O>[Phase I + II]>CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C(=C2)O)O)C(=O)N)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O Labetalol to Labetalol-C1'-glucuronidated metabolite (VII),NA
3869,Labetalol,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,Phase I + II,137553864,Labetalol-C3-glucuronidated metabolite (VIII),CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C(=C2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)C(=O)N)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O>[Phase I + II]>CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C(=C2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)C(=O)N)O Labetalol to Labetalol-C3-glucuronidated metabolite (VIII),NA
3869,Labetalol,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,Phase II,137553866,Labetalol-glucuronide metabolite (XI),CC(CCC1=CC=CC=C1)N2C=CC3=CC(=C(C(=C32)C(=O)N)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O>[Phase II]>CC(CCC1=CC=CC=C1)N2C=CC3=CC(=C(C(=C32)C(=O)N)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O Labetalol to Labetalol-glucuronide metabolite (XI),NA
3869,Labetalol,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,Phase II,137553867,Labetalol-glucuronide metabolite (X),CC(CCC1=CC=CC=C1)N2C=CC3=CC(=C(C(=C32)C(=O)N)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O>[Phase II]>CC(CCC1=CC=CC=C1)N2C=CC3=CC(=C(C(=C32)C(=O)N)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O Labetalol to Labetalol-glucuronide metabolite (X),NA
3869,Labetalol,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,Phase II,169501873,Labetalol-phenolic-glucuronide metabolite (III),CC(CCC1=CC=CC=C1)NCC(O)C1=CC(C(N)=O)=C(OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O>[Phase II]>CC(CCC1=CC=CC=C1)NCC(O)C1=CC(C(N)=O)=C(OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1 Labetalol to Labetalol-phenolic-glucuronide metabolite (III),NA
3869,Labetalol,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,Phase I,169502208,Labetalol theoretical metabolite (IX),CC(CCC1=CC=CC=C1)N1C=CC2=C1C(C(N)=O)=C(O)C(O)=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O>[Phase I]>CC(CCC1=CC=CC=C1)N1C=CC2=C1C(C(N)=O)=C(O)C(O)=C2 Labetalol to Labetalol theoretical metabolite (IX),NA
219078,Lacosamide,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1,Phase I,10104501,Descarbonyllacosamide,COC[C@H](C(=O)NCC1=CC=CC=C1)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1>[Phase I]>COC[C@H](C(=O)NCC1=CC=CC=C1)N Lacosamide to Descarbonyllacosamide,NA
219078,Lacosamide,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1,Phase I,10889901,O-Desmethyllacosamide,CC(=O)N[C@H](CO)C(=O)NCC1=CC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1>[Phase I]>CC(=O)N[C@H](CO)C(=O)NCC1=CC=CC=C1 Lacosamide to O-Desmethyllacosamide,NA
219078,Lacosamide,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1,Phase II,131769969,Lacosamide-glucuronide,COC[C@H](C(=O)NCC1=CC=CC=C1)NC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1>[Phase II]>COC[C@H](C(=O)NCC1=CC=CC=C1)NC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O Lacosamide to Lacosamide-glucuronide,NA
219078,Lacosamide,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1,Phase I,156028130,o-Hydroxylacosamide,CC(N[C@@H](C(NCC1=CC=CC=C1O)=O)COC)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1>[Phase I]>CC(N[C@@H](C(NCC1=CC=CC=C1O)=O)COC)=O Lacosamide to o-Hydroxylacosamide,NA
219078,Lacosamide,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1,Phase I,156596525,m-hydroxy-lacosamide,CC(N[C@@H](C(NCC1=CC=CC(O)=C1)=O)COC)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1>[Phase I]>CC(N[C@@H](C(NCC1=CC=CC(O)=C1)=O)COC)=O Lacosamide to m-hydroxy-lacosamide,NA
219078,Lacosamide,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1,Phase I,156596630,O-Desmethyl-p-hydroxylacosamide,CC(N[C@@H](C(NCC1=CC=C(O)C=C1)=O)CO)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1>[Phase I]>CC(N[C@@H](C(NCC1=CC=C(O)C=C1)=O)CO)=O Lacosamide to O-Desmethyl-p-hydroxylacosamide,NA
219078,Lacosamide,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1,Phase I,156596912,O-Desmethyl-o-hydroxylacosamide,CC(N[C@@H](C(NCC1=CC=CC=C1O)=O)CO)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1>[Phase I]>CC(N[C@@H](C(NCC1=CC=CC=C1O)=O)CO)=O Lacosamide to O-Desmethyl-o-hydroxylacosamide,NA
219078,Lacosamide,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1,Phase I,156613579,O-Desmethyl-m-hydroxy-lacosamide,CC(N[C@@H](C(NCC1=CC(O)=CC=C1)=O)CO)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1>[Phase I]>CC(N[C@@H](C(NCC1=CC(O)=CC=C1)=O)CO)=O Lacosamide to O-Desmethyl-m-hydroxy-lacosamide,NA
219078,Lacosamide,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1,Phase I,169502157,p-Hydroxylacosamide,CC(N[C@@H](C(NCC1=CC=C(O)C=C1)=O)COC)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1>[Phase I]>CC(N[C@@H](C(NCC1=CC=C(O)C=C1)=O)COC)=O Lacosamide to p-Hydroxylacosamide,NA
219078,Lacosamide,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1,Phase I + II,169502229,Hydroxylacosamide-glucuronide,CC(N[C@@H](C(NCC1=CC=C(OC2C(O)C(O)C(O)C(C(O)=O)O2)C=C1)=O)COC)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1>[Phase I + II]>CC(N[C@@H](C(NCC1=CC=C(OC2C(O)C(O)C(O)C(C(O)=O)O2)C=C1)=O)COC)=O Lacosamide to Hydroxylacosamide-glucuronide,NA
60825,Lamivudine,C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N,Phase I,452020,Lamivudine-sulfoxide,C1[C@@H](O[C@@H](S1=O)CO)N2C=CC(=NC2=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N>[Phase I]>C1[C@@H](O[C@@H](S1=O)CO)N2C=CC(=NC2=O)N Lamivudine to Lamivudine-sulfoxide,NA
60825,Lamivudine,C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N,Phase II,75607387,Lamivudine-monophosphate,C1C(OC(S1)COP(=O)(O)O)N2C=CC(=NC2=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N>[Phase II]>C1C(OC(S1)COP(=O)(O)O)N2C=CC(=NC2=O)N Lamivudine to Lamivudine-monophosphate,NA
60825,Lamivudine,C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N,Phase II,75607486,Lamivudine-triphosphate,C1C(OC(S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N>[Phase II]>C1C(OC(S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N Lamivudine to Lamivudine-triphosphate,NA
60825,Lamivudine,C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N,Phase II,169501891,Lamivudine-diphosphate-choline,O=P(O)(OP(O)(OCC[N+](C)(C)C)=O)OC[C@@H]1O[C@H](N2C=CC(N)=NC2=O)CS1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N>[Phase II]>O=P(O)(OP(O)(OCC[N+](C)(C)C)=O)OC[C@@H]1O[C@H](N2C=CC(N)=NC2=O)CS1 Lamivudine to Lamivudine-diphosphate-choline,NA
60825,Lamivudine,C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N,Phase II,169502226,Lamivudine-diphosphate-ethanolamine,O=P(O)(OP(O)(OCCN)=O)OC[C@@H]1O[C@H](N2C=CC(N)=NC2=O)CS1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N>[Phase II]>O=P(O)(OP(O)(OCCN)=O)OC[C@@H]1O[C@H](N2C=CC(N)=NC2=O)CS1 Lamivudine to Lamivudine-diphosphate-ethanolamine,NA
3878,Lamotrigine,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N,Phase II,164342,Lamotrigine-N2-glucuronide,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C([N+](=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N>[Phase II]>C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C([N+](=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N)N Lamotrigine to Lamotrigine-N2-glucuronide,NA
3878,Lamotrigine,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N,Phase I,91810661,Lamotrigine-2-N-methyl,C[N+]1=NC(=C(N=C1N)N)C2=C(C(=CC=C2)Cl)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N>[Phase I]>C[N+]1=NC(=C(N=C1N)N)C2=C(C(=CC=C2)Cl)Cl Lamotrigine to Lamotrigine-2-N-methyl,NA
3878,Lamotrigine,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N,Phase II,71236569,Lamotrigine-N5-glucuronide,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N>[Phase II]>C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O Lamotrigine to Lamotrigine-N5-glucuronide,NA
3878,Lamotrigine,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N,Phase I,15089895,Lamotrigine-N2-oxide,C1=CC(=C(C(=C1)Cl)Cl)C2=NN(C(=N)N=C2N)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Lu and Uetrecht, Drug Metab. Dispos., 35(7), 2007",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N>[Phase I]>C1=CC(=C(C(=C1)Cl)Cl)C2=NN(C(=N)N=C2N)O Lamotrigine to Lamotrigine-N2-oxide,NA
3883,Lansoprazole,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,1094080,Lansoprazole-sulfide,CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCC(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Grabowski and Lee, Clin. Drug Investig., 32(5), 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCC(F)(F)F Lansoprazole to Lansoprazole-sulfide,NA
3883,Lansoprazole,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,9800271,5-Hydroxylansoprazole,CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)O)OCC(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)O)OCC(F)(F)F Lansoprazole to 5-Hydroxylansoprazole,NA
3883,Lansoprazole,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,10385385,Lansoprazole-sulfone,CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Grabowski and Lee, Clin. Drug Investig., 32(5), 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F Lansoprazole to Lansoprazole-sulfone,NA
3883,Lansoprazole,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,71749087,5-Hydroxylansoprazole-sulfide,CC1=C(OCC(F)(F)F)C=CN=C1CSC2=NC3=CC=C(O)C=C3N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Landes et al, Clin. Pharmacokinet., 28(6), 1995",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>CC1=C(OCC(F)(F)F)C=CN=C1CSC2=NC3=CC=C(O)C=C3N2 Lansoprazole to 5-Hydroxylansoprazole-sulfide,NA
3883,Lansoprazole,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I,90478568,5-Hydroxylansoprazole-sulfone,CC1=C(OCC(F)(F)F)C=CN=C1CS(C2=NC3=CC=C(O)C=C3N2)(=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Landes et al, Clin. Pharmacokinet., 28(6), 1995",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I]>CC1=C(OCC(F)(F)F)C=CN=C1CS(C2=NC3=CC=C(O)C=C3N2)(=O)=O Lansoprazole to 5-Hydroxylansoprazole-sulfone,NA
3883,Lansoprazole,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I + II,169502015,5-Hydroxylansoprazole-sulfone-glucuronide,CC1=C(OCC(F)(F)F)C=CN=C1CS(C2=NC3=CC=C(OC([C@@H](C4O)O)O[C@@H]([C@H]4O)C(O)=O)C=C3N2)(=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Landes et al, Clin. Pharmacokinet., 28(6), 1995",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I + II]>CC1=C(OCC(F)(F)F)C=CN=C1CS(C2=NC3=CC=C(OC([C@@H](C4O)O)O[C@@H]([C@H]4O)C(O)=O)C=C3N2)(=O)=O Lansoprazole to 5-Hydroxylansoprazole-sulfone-glucuronide,NA
3883,Lansoprazole,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I + II,169502050,5-Hydroxylansoprazole-sulfide-glucuronide,CC1=C(OCC(F)(F)F)C=CN=C1CSC2=NC3=CC=C(OC([C@@H](C4O)O)O[C@@H]([C@H]4O)C(O)=O)C=C3N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Landes et al, Clin. Pharmacokinet., 28(6), 1995",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I + II]>CC1=C(OCC(F)(F)F)C=CN=C1CSC2=NC3=CC=C(OC([C@@H](C4O)O)O[C@@H]([C@H]4O)C(O)=O)C=C3N2 Lansoprazole to 5-Hydroxylansoprazole-sulfide-glucuronide,NA
3883,Lansoprazole,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,Phase I + II,169502282,5-Hydroxylansoprazole-glucuronide,CC1=C(OCC(F)(F)F)C=CN=C1CS(C2=NC3=CC=C(OC([C@@H](C4O)O)O[C@@H]([C@H]4O)C(O)=O)C=C3N2)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Landes et al, Clin. Pharmacokinet., 28(6), 1995",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F>[Phase I + II]>CC1=C(OCC(F)(F)F)C=CN=C1CS(C2=NC3=CC=C(OC([C@@H](C4O)O)O[C@@H]([C@H]4O)C(O)=O)C=C3N2)=O Lansoprazole to 5-Hydroxylansoprazole-glucuronide,NA
65866,Lercanidipine,CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC,Phase I,169501819,Lercanidipine metabolite M5,CC1=C(C(OC)=O)C(C2=CC(N)=CC=C2)C(C(OC(C)(CN)C)=O)=C(C)N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Barchielli et al., J. Cardiovasc. Pharmacol., 29, 1997",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC>[Phase I]>CC1=C(C(OC)=O)C(C2=CC(N)=CC=C2)C(C(OC(C)(CN)C)=O)=C(C)N1 Lercanidipine to Lercanidipine metabolite M5,NA
65866,Lercanidipine,CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC,Phase I,169501971,Lercanidipine metabolite M5 intermediate 1,CC1=C(C(OC)=O)C(C2=CC([N+]([O-])=O)=CC=C2)C(C(OC(C)(CN)C)=O)=C(C)N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Barchielli et al., J. Cardiovasc. Pharmacol., 29, 1997",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC>[Phase I]>CC1=C(C(OC)=O)C(C2=CC([N+]([O-])=O)=CC=C2)C(C(OC(C)(CN)C)=O)=C(C)N1 Lercanidipine to Lercanidipine metabolite M5 intermediate 1,NA
65866,Lercanidipine,CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC,Phase I,70334278,Lercanidipine metabolite M5 intermediate 2,CC1=C(C(OC)=O)C(C2=CC(N)=CC=C2)C(C(OC(C)(CN(CCC(C3=CC=CC=C3)C4=CC=CC=C4)C)C)=O)=C(C)N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Barchielli et al., J. Cardiovasc. Pharmacol., 29, 1997",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC>[Phase I]>CC1=C(C(OC)=O)C(C2=CC(N)=CC=C2)C(C(OC(C)(CN(CCC(C3=CC=CC=C3)C4=CC=CC=C4)C)C)=O)=C(C)N1 Lercanidipine to Lercanidipine metabolite M5 intermediate 2,NA
65866,Lercanidipine,CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC,Phase I,169501779,Lercanidipine metabolite PA3,CC1=C(C(OC)=O)C(C2=CC(N)=CC=C2)=C(C(C)=N1)C(OC(C)(CO)C)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Barchielli et al., J. Cardiovasc. Pharmacol., 29, 1997",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC>[Phase I]>CC1=C(C(OC)=O)C(C2=CC(N)=CC=C2)=C(C(C)=N1)C(OC(C)(CO)C)=O Lercanidipine to Lercanidipine metabolite PA3,NA
65866,Lercanidipine,CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC,Phase I + II,169502153,Lercanidipine metabolite M4 (glucuronide conjugate),CC1=C(C(OC)=O)C(C2=CC([N+]([O-])=O)=CC=C2)=C(C(C)=N1)C(OC(C)(COC3OC(C(O)=O)C(O)C(O)C3O)C)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Barchielli et al., J. Cardiovasc. Pharmacol., 29, 1997",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC>[Phase I + II]>CC1=C(C(OC)=O)C(C2=CC([N+]([O-])=O)=CC=C2)=C(C(C)=N1)C(OC(C)(COC3OC(C(O)=O)C(O)C(O)C3O)C)=O Lercanidipine to Lercanidipine metabolite M4 (glucuronide conjugate),NA
65866,Lercanidipine,CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC,Phase I,169502108,Lercanidipine metabolite M8,CC1=C(C(OC)=O)C(C2=CC([N+]([O-])=O)=CC=C2)=C(C(C)=N1)C(OC(C)(CO)C)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Barchielli et al., J. Cardiovasc. Pharmacol., 29, 1997",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC>[Phase I]>CC1=C(C(OC)=O)C(C2=CC([N+]([O-])=O)=CC=C2)=C(C(C)=N1)C(OC(C)(CO)C)=O Lercanidipine to Lercanidipine metabolite M8,NA
65866,Lercanidipine,CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC,Phase I,97961399,Dehydrolercanidipine,CC1=C(C(OC)=O)C(C2=CC([N+]([O-])=O)=CC=C2)=C(C(C)=N1)C(OC(C)(CN(CCC(C3=CC=CC=C3)C4=CC=CC=C4)C)C)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Barchielli et al., J. Cardiovasc. Pharmacol., 29, 1997",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC>[Phase I]>CC1=C(C(OC)=O)C(C2=CC([N+]([O-])=O)=CC=C2)=C(C(C)=N1)C(OC(C)(CN(CCC(C3=CC=CC=C3)C4=CC=CC=C4)C)C)=O Lercanidipine to Dehydrolercanidipine,NA
5284583,Levetiracetam,CC[C@@H](C(=O)N)N1CCCC1=O,Phase I,169502149,Hydroxylevetiracetam,O=C1N([C@H](C(N)=O)CC)C(O)CC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@@H](C(=O)N)N1CCCC1=O>[Phase I]>O=C1N([C@H](C(N)=O)CC)C(O)CC1 Levetiracetam to Hydroxylevetiracetam,NA
5284583,Levetiracetam,CC[C@@H](C(=O)N)N1CCCC1=O,Phase I,141421302,Ring-opened hydroxy levetiracetam,O=C(CCCO)N[C@H](C(N)=O)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@@H](C(=O)N)N1CCCC1=O>[Phase I]>O=C(CCCO)N[C@H](C(N)=O)CC Levetiracetam to Ring-opened hydroxy levetiracetam,NA
5284583,Levetiracetam,CC[C@@H](C(=O)N)N1CCCC1=O,Phase I,11607993,Levetiracetam carboxylic acid metabolite (L057),CC[C@H](N1CCCC1=O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@@H](C(=O)N)N1CCCC1=O>[Phase I]>CC[C@H](N1CCCC1=O)C(O)=O Levetiracetam to Levetiracetam carboxylic acid metabolite (L057),NA
10917,Levocarnitine,C[N+](C)(C)C[C@@H](CC(=O)[O-])O,Phase I,725,γ-Butyrobetain,C[N+](C)(C)CCCC(=O)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[N+](C)(C)C[C@@H](CC(=O)[O-])O>[Phase I]>C[N+](C)(C)CCCC(=O)[O-] Levocarnitine to γ-Butyrobetain,NA
10917,Levocarnitine,C[N+](C)(C)C[C@@H](CC(=O)[O-])O,Phase I,5462194,Crotonobetaine,C[N+](C)(C)C/C=C/C(=O)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[N+](C)(C)C[C@@H](CC(=O)[O-])O>[Phase I]>C[N+](C)(C)C/C=C/C(=O)[O-] Levocarnitine to Crotonobetaine,NA
10917,Levocarnitine,C[N+](C)(C)C[C@@H](CC(=O)[O-])O,Phase I,1146,Trimethylamine (TMA),CN(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[N+](C)(C)C[C@@H](CC(=O)[O-])O>[Phase I]>CN(C)C Levocarnitine to Trimethylamine (TMA),NA
10917,Levocarnitine,C[N+](C)(C)C[C@@H](CC(=O)[O-])O,Phase I,1145,Trimethylamine-N-oxide (TMAO),C[N+](C)(C)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[N+](C)(C)C[C@@H](CC(=O)[O-])O>[Phase I]>C[N+](C)(C)[O-] Levocarnitine to Trimethylamine-N-oxide (TMAO),NA
149096,Levofloxacin,C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O,Phase II,71749775,Levofloxacin-β-D-glucuronide ,C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Fish and Chow, Clin. Pharmacokinet., 32(2), 1997",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O>[Phase II]>C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O Levofloxacin to Levofloxacin-β-D-glucuronide ,NA
149096,Levofloxacin,C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O,Phase I,10958963,Desmethyllevofloxacin,C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCNCC4)F)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O>[Phase I]>C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCNCC4)F)C(=O)O Levofloxacin to Desmethyllevofloxacin,NA
149096,Levofloxacin,C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O,Phase I,10970860,Levofloxacin-N-oxide,C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CC[N+](CC4)(C)[O-])F)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O>[Phase I]>C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CC[N+](CC4)(C)[O-])F)C(=O)O Levofloxacin to Levofloxacin-N-oxide,NA
3676,Lidocaine,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,Phase I,87833,Glycinexylidide (GX),CC1=C(C(=CC=C1)C)NC(=O)CN,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C>[Phase I]>CC1=C(C(=CC=C1)C)NC(=O)CN Lidocaine to Glycinexylidide (GX),NA
3676,Lidocaine,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,Phase I,3015693,3-Hydroxymonoethylglycinexylidide,CCNCC(=O)NC1=C(C=CC(=C1C)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C>[Phase I]>CCNCC(=O)NC1=C(C=CC(=C1C)O)C Lidocaine to 3-Hydroxymonoethylglycinexylidide,NA
3676,Lidocaine,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,Phase I,169502084,4-Hydroxylidocaine,CCN(CC(NC1=C(C)C=C(O)C=C1C)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Punt et al., In Vitro Toxicol., 76, 2021",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C>[Phase I]>CCN(CC(NC1=C(C)C=C(O)C=C1C)=O)C Lidocaine to 4-Hydroxylidocaine,NA
3676,Lidocaine,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,Phase I,24415,Lidocaine-N-desethyl,CCNCC(=O)NC1=C(C=CC=C1C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C>[Phase I]>CCNCC(=O)NC1=C(C=CC=C1C)C Lidocaine to Lidocaine-N-desethyl,NA
3676,Lidocaine,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,Phase I,24415,Monoethylglycinexylidide/Norlidocaine,CCNCC(=O)NC1=C(C=CC=C1C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C>[Phase I]>CCNCC(=O)NC1=C(C=CC=C1C)C Lidocaine to Monoethylglycinexylidide/Norlidocaine,NA
3676,Lidocaine,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,Phase I,161824,3-Hydroxylidocaine,CCN(CC)CC(=O)NC1=C(C=CC(=C1C)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C>[Phase I]>CCN(CC)CC(=O)NC1=C(C=CC(=C1C)O)C Lidocaine to 3-Hydroxylidocaine,NA
3676,Lidocaine,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,Phase I,76543,"4-Hydroxy-2,6-dimethylaniline",CC1=CC(=CC(=C1N)C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCN(CC)CC(=O)NC1=C(C=CC=C1C)C>[Phase I]>CC1=CC(=CC(=C1N)C)O Lidocaine to 4-Hydroxy-2,6-dimethylaniline",NA
3676,Lidocaine,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,Phase I,6896,"2,6-Dimethylaniline (2,6-xylidine)",CC1=C(C(=CC=C1)C)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCN(CC)CC(=O)NC1=C(C=CC=C1C)C>[Phase I]>CC1=C(C(=CC=C1)C)N Lidocaine to 2,6-Dimethylaniline (2,6-xylidine)",NA
3676,Lidocaine,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,Phase I,3036923,Lidocaine-N-oxide,CC[N+](CC)(CC(=O)NC1=C(C=CC=C1C)C)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C>[Phase I]>CC[N+](CC)(CC(=O)NC1=C(C=CC=C1C)C)[O-] Lidocaine to Lidocaine-N-oxide,NA
3676,Lidocaine,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,Phase I,78101,2-Amino-3-methylbenzoate,CC1=C(C(=CC=C1)C(=O)O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C>[Phase I]>CC1=C(C(=CC=C1)C(=O)O)N Lidocaine to 2-Amino-3-methylbenzoate,NA
11597698,Lisdexamfetamine,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N,Phase I,5962,L-Lysine,C(CCN)C[C@@H](C(=O)O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N>[Phase I]>C(CCN)C[C@@H](C(=O)O)N Lisdexamfetamine to L-Lysine,NA
11597698,Lisdexamfetamine,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N,Phase I,6931150,4-Hydroxynorephedrine,C[C@H]([C@H](C1=CC=C(C=C1)O)O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N>[Phase I]>C[C@H]([C@H](C1=CC=C(C=C1)O)O)N Lisdexamfetamine to 4-Hydroxynorephedrine,NA
11597698,Lisdexamfetamine,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N,Phase I,26934,Norephedrine,C[C@H]([C@H](C1=CC=CC=C1)O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N>[Phase I]>C[C@H]([C@H](C1=CC=CC=C1)O)N Lisdexamfetamine to Norephedrine,NA
11597698,Lisdexamfetamine,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N,Phase I,3651,4-Hydroxyamphetamine,CC(CC1=CC=C(C=C1)O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N>[Phase I]>CC(CC1=CC=C(C=C1)O)N Lisdexamfetamine to 4-Hydroxyamphetamine,NA
11597698,Lisdexamfetamine,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N,Phase I,5826,Dextroamphetamine,C[C@@H](CC1=CC=CC=C1)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N>[Phase I]>C[C@@H](CC1=CC=CC=C1)N Lisdexamfetamine to Dextroamphetamine,NA
11597698,Lisdexamfetamine,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N,Phase I + II,115145,Benzoyl-glucuronide,C1=CC=C(C=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N>[Phase I + II]>C1=CC=C(C=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O Lisdexamfetamine to Benzoyl-glucuronide,NA
11597698,Lisdexamfetamine,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N,Phase I,464,Hippuric acid,C1=CC=C(C=C1)C(=O)NCC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N>[Phase I]>C1=CC=C(C=C1)C(=O)NCC(=O)O Lisdexamfetamine to Hippuric acid,NA
11597698,Lisdexamfetamine,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N,Phase I,243,Benzoic acid,C1=CC=C(C=C1)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N>[Phase I]>C1=CC=C(C=C1)C(=O)O Lisdexamfetamine to Benzoic acid,NA
11597698,Lisdexamfetamine,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N,Phase I,7678,Phenylacetone,CC(=O)CC1=CC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N>[Phase I]>CC(=O)CC1=CC=CC=C1 Lisdexamfetamine to Phenylacetone,NA
92727,Lopinavir,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O,Phase I,169502266,Lopinavir M9/M10 metabolite(s),CC1=C(OCC(N[C@H]([C@@H](O)C[C@@H](NC([C@@H](N2CCC(NC2=O)=O)C(C)C)=O)CC3=CC=C(O)C=C3)CC4=CC=CC=C4)=O)C(C)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Kumar et al., Pharm. Res., 21(9), 2004",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O>[Phase I]>CC1=C(OCC(N[C@H]([C@@H](O)C[C@@H](NC([C@@H](N2CCC(NC2=O)=O)C(C)C)=O)CC3=CC=C(O)C=C3)CC4=CC=CC=C4)=O)C(C)=CC=C1 Lopinavir to Lopinavir M9/M10 metabolite(s),NA
92727,Lopinavir,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O,Phase I,169502065,Lopinavir M11/M15 metabolite(s),CC1=C(OCC(N[C@H]([C@@H](O)C[C@@H](NC([C@@H](N2CCC(O)NC2=O)C(C)C)=O)CC3=CC=C(O)C=C3)CC4=CC=CC=C4)=O)C(C)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Kumar et al., Pharm. Res., 21(9), 2004",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O>[Phase I]>CC1=C(OCC(N[C@H]([C@@H](O)C[C@@H](NC([C@@H](N2CCC(O)NC2=O)C(C)C)=O)CC3=CC=C(O)C=C3)CC4=CC=CC=C4)=O)C(C)=CC=C1 Lopinavir to Lopinavir M11/M15 metabolite(s),NA
92727,Lopinavir,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O,Phase I,169501901,Lopinavir M6/M7/M8 metabolite(s),CC1=C(OCC(N[C@H]([C@@H](O)C[C@@H](NC([C@@H](N2CCCNC2=O)C(C)C)=O)CC3=CC=C(O)C=C3)CC4=CC=CC=C4)=O)C(C)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Kumar et al., Pharm. Res., 21(9), 2004",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O>[Phase I]>CC1=C(OCC(N[C@H]([C@@H](O)C[C@@H](NC([C@@H](N2CCCNC2=O)C(C)C)=O)CC3=CC=C(O)C=C3)CC4=CC=CC=C4)=O)C(C)=CC=C1 Lopinavir to Lopinavir M6/M7/M8 metabolite(s),NA
92727,Lopinavir,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O,Phase I,169502185,Lopinavir M5 metabolite,CC1=C(OCC(N[C@H]([C@@H](O)C[C@@H](NC([C@@H](N2CCCNC2=O)C(C)C)=O)CC3=CC=CC=C3)CC4=CC=CC=C4)=O)C(C)=CC(O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Kumar et al., Pharm. Res., 21(9), 2004",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O>[Phase I]>CC1=C(OCC(N[C@H]([C@@H](O)C[C@@H](NC([C@@H](N2CCCNC2=O)C(C)C)=O)CC3=CC=CC=C3)CC4=CC=CC=C4)=O)C(C)=CC(O)=C1 Lopinavir to Lopinavir M5 metabolite,NA
92727,Lopinavir,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O,Phase I,486506,Lopinavir M1 metabolite,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCC(=O)NC4=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O>[Phase I]>CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCC(=O)NC4=O)O Lopinavir to Lopinavir M1 metabolite,NA
92727,Lopinavir,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O,Phase I,486507,Lopinavir M3/M4 metabolite(s),CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCC(NC4=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O>[Phase I]>CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCC(NC4=O)O)O Lopinavir to Lopinavir M3/M4 metabolite(s),NA
92727,Lopinavir,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O,Phase I,169501896,Lopinavir M2 metabolite,CC(C)[C@H](N1C(O)CCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)CC1=CC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O>[Phase I]>CC(C)[C@H](N1C(O)CCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Lopinavir to Lopinavir M2 metabolite,NA
3961,Losartan,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl,Phase II,49849772,Losartan-N2-glucuronide,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN(N=N4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)CO)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl>[Phase II]>CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN(N=N4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)CO)Cl Losartan to Losartan-N2-glucuronide,NA
3961,Losartan,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl,Phase I,9867801,Losartan metabolite M2,ClC1=C(CO)N(CC2=CC=C(C3=CC=CC=C3C4=NNN=N4)C=C2)C(CCC(O)C)=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl>[Phase I]>ClC1=C(CO)N(CC2=CC=C(C3=CC=CC=C3C4=NNN=N4)C=C2)C(CCC(O)C)=N1 Losartan to Losartan metabolite M2,NA
3961,Losartan,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl,Phase I,9911047,Losartan metabolite M5,ClC1=C(CO)N(CC2=CC=C(C3=CC=CC=C3C4=NNN=N4)C=C2)C(C(O)CCC)=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl>[Phase I]>ClC1=C(CO)N(CC2=CC=C(C3=CC=CC=C3C4=NNN=N4)C=C2)C(C(O)CCC)=N1 Losartan to Losartan metabolite M5,NA
3961,Losartan,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl,Phase I,154699743,Losartan metabolite P1,ClC1=C(C([H])=O)N(CC2=CC=C(C3=CC=CC=C3C4=NNN=N4)C=C2)C(C(O)CCC)=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl>[Phase I]>ClC1=C(C([H])=O)N(CC2=CC=C(C3=CC=CC=C3C4=NNN=N4)C=C2)C(C(O)CCC)=N1 Losartan to Losartan metabolite P1,NA
3961,Losartan,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl,Phase I,9802264,Losartan carboxaldehyde (EXP-3179),CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C=O)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl>[Phase I]>CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C=O)Cl Losartan to Losartan carboxaldehyde (EXP-3179),NA
3961,Losartan,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl,Phase I,108185,Losartan carboxylic acid (EXP-3174),CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl>[Phase I]>CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)Cl Losartan to Losartan carboxylic acid (EXP-3174),NA
3961,"Losartan, ",CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl,Phase I,19388302,Valsartan acid,C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl>[Phase I]>C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3 Losartan,  to Valsartan acid",NA
54707177,Lymecycline,C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCNCCCC[C@@H](C(=O)O)N)N(C)C)O,Phase I,51580080,Tetracycline,C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCNCCCC[C@@H](C(=O)O)N)N(C)C)O>[Phase I]>C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O Lymecycline to Tetracycline,NA
4031,Mebeverine,CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC,Phase I,26649,Mebeverine alcohol,CCN(CCCCO)C(C)CC1=CC=C(C=C1)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC>[Phase I]>CCN(CCCCO)C(C)CC1=CC=C(C=C1)OC Mebeverine to Mebeverine alcohol,NA
4031,Mebeverine,CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC,Phase I,45038887,O-Desmethylmebeverine acid,CCN(CCCC(=O)O)C(C)CC1=CC=C(C=C1)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC>[Phase I]>CCN(CCCC(=O)O)C(C)CC1=CC=C(C=C1)O Mebeverine to O-Desmethylmebeverine acid,NA
4031,Mebeverine,CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC,Phase I,20556914,Mebeverine acid,CCN(C(CC1=CC=C(OC)C=C1)C)CCCC(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC>[Phase I]>CCN(C(CC1=CC=C(OC)C=C1)C)CCCC(O)=O Mebeverine to Mebeverine acid,NA
4031,Mebeverine,CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC,Phase I,7121,Veratric acid,COC1=C(C=C(C=C1)C(=O)O)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC>[Phase I]>COC1=C(C=C(C=C1)C(=O)O)OC Mebeverine to Veratric acid,NA
4044,Mefenamic Acid,CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C,Phase II,128135,Mefenamic acid-glucuronide,CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","McGurk et al., Drug Metab. Dispos. 24(8), 1996",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C>[Phase II]>CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C Mefenamic Acid to Mefenamic acid-glucuronide,NA
4044,Mefenamic Acid,CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C,Phase I + II,192612,3-Carboxymefenamic acid-acyl-β-D-glucuronide,CC1=C(C=CC=C1NC2=CC=CC=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C>[Phase I + II]>CC1=C(C=CC=C1NC2=CC=CC=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)O Mefenamic Acid to 3-Carboxymefenamic acid-acyl-β-D-glucuronide,NA
4044,Mefenamic Acid,CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C,Phase I,542022,3-Carboxymefenamic acid,CC1=C(C=CC=C1NC2=CC=CC=C2C(=O)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C>[Phase I]>CC1=C(C=CC=C1NC2=CC=CC=C2C(=O)O)C(=O)O Mefenamic Acid to 3-Carboxymefenamic acid,NA
4044,Mefenamic Acid,CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C,Phase I,610738,3-Hydroxymethylmefenamic acid,CC1=C(C=CC=C1NC2=CC=CC=C2C(=O)O)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C>[Phase I]>CC1=C(C=CC=C1NC2=CC=CC=C2C(=O)O)CO Mefenamic Acid to 3-Hydroxymethylmefenamic acid,NA
4044,Mefenamic Acid,CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C,Phase I + II,91667821,3-Hydroxymethylmefenamic acid-acyl-β-D-glucuronide,CC1=C(C=CC=C1NC2=CC=CC=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C>[Phase I + II]>CC1=C(C=CC=C1NC2=CC=CC=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)CO Mefenamic Acid to 3-Hydroxymethylmefenamic acid-acyl-β-D-glucuronide,NA
25382,Melitracen,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C,Phase I,169501865,Hydroxylitracen 4,CC1(C)C2=CC=CC(O)=C2/C(C3=CC=CC=C31)=C\CCNC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C>[Phase I]>CC1(C)C2=CC=CC(O)=C2/C(C3=CC=CC=C31)=C\CCNC Melitracen to Hydroxylitracen 4,NA
25382,Melitracen,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C,Phase I,169502081,Hydroxylitracen 3,CC1(C)C2=CC=C(O)C=C2/C(C3=CC=CC=C31)=C\CCNC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C>[Phase I]>CC1(C)C2=CC=C(O)C=C2/C(C3=CC=CC=C31)=C\CCNC Melitracen to Hydroxylitracen 3,NA
25382,Melitracen,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C,Phase I,169502131,Hydroxylitracen 2,CC1(C)C2=CC(O)=CC=C2/C(C3=CC=CC=C31)=C\CCNC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C>[Phase I]>CC1(C)C2=CC(O)=CC=C2/C(C3=CC=CC=C31)=C\CCNC Melitracen to Hydroxylitracen 2,NA
25382,Melitracen,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C,Phase I,169502235,Hydroxylitracen 1,CC1(C)C2CCCCC2/C(=C/CCNC)/C2CCCC(C12)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C>[Phase I]>CC1(C)C2CCCCC2/C(=C/CCNC)/C2CCCC(C12)O Melitracen to Hydroxylitracen 1,NA
25382,Melitracen,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C,Phase I,169501936,Hydroxymelitracen 4,CC1(C)C2=CC=CC(O)=C2/C(C3=CC=CC=C31)=C\CCN(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C>[Phase I]>CC1(C)C2=CC=CC(O)=C2/C(C3=CC=CC=C31)=C\CCN(C)C Melitracen to Hydroxymelitracen 4,NA
25382,Melitracen,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C,Phase I,169501966,Hydroxymelitracen 3,CC1(C)C2=CC=C(O)C=C2/C(C3=CC=CC=C31)=C\CCN(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C>[Phase I]>CC1(C)C2=CC=C(O)C=C2/C(C3=CC=CC=C31)=C\CCN(C)C Melitracen to Hydroxymelitracen 3,NA
25382,Melitracen,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C,Phase I,169502119,Hydroxymelitracen 1,CC1(C)C2CCCCC2/C(=C/CCN(C)C)/C2CCCC(C12)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C>[Phase I]>CC1(C)C2CCCCC2/C(=C/CCN(C)C)/C2CCCC(C12)O Melitracen to Hydroxymelitracen 1,NA
25382,Melitracen,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C,Phase I,169502122,Hydroxymelitracen 2,CC1(C)C2=CC(O)=CC=C2/C(C3=CC=CC=C31)=C\CCN(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C>[Phase I]>CC1(C)C2=CC(O)=CC=C2/C(C3=CC=CC=C31)=C\CCN(C)C Melitracen to Hydroxymelitracen 2,NA
25382,Melitracen,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C,Phase I,82730,Litracen,CC1(C2=CC=CC=C2C(=CCCNC)C3=CC=CC=C31)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C>[Phase I]>CC1(C2=CC=CC=C2C(=CCCNC)C3=CC=CC=C31)C Melitracen to Litracen,NA
441130,Meropenem,C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O,Phase I,10069633,Meropenem ring open metabolite,C[C@@H]1[C@@H](NC(C(O)=O)=C1S[C@H]2C[C@@H](C(N(C)C)=O)NC2)[C@@H]([C@H](O)C)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O>[Phase I]>C[C@@H]1[C@@H](NC(C(O)=O)=C1S[C@H]2C[C@@H](C(N(C)C)=O)NC2)[C@@H]([C@H](O)C)C(O)=O Meropenem to Meropenem ring open metabolite,NA
4075,Mesalazine,C1=CC(=C(C=C1N)C(=O)O)O,Phase II,65512,N-Acetyl-5-ASA (Ac-5-ASA),CC(=O)NC1=CC=C(O)C(=C1)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC(=C(C=C1N)C(=O)O)O>[Phase II]>CC(=O)NC1=CC=C(O)C(=C1)C(O)=O Mesalazine to N-Acetyl-5-ASA (Ac-5-ASA),NA
3111,Metamizole,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O,Phase I,68214,Dioxoaminopyrine,CC(=O)N(C)N(C1=CC=CC=C1)C(=O)C(=O)N(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O>[Phase I]>CC(=O)N(C)N(C1=CC=CC=C1)C(=O)C(=O)N(C)C Metamizole to Dioxoaminopyrine,NA
3111,Metamizole,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O,Phase I,72666,4-Formylantipyrine,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O>[Phase I]>CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O Metamizole to 4-Formylantipyrine,NA
3111,Metamizole,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O,Phase I,6009,4-Dimethylaminoantipyrine,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O>[Phase I]>CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C Metamizole to 4-Dimethylaminoantipyrine,NA
3111,Metamizole,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O,Phase I,65743,4-Acetylaminoantipyrine,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O>[Phase I]>CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C Metamizole to 4-Acetylaminoantipyrine,NA
3111,Metamizole,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O,Phase I,2151,4-Aminoantipyrine,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O>[Phase I]>CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N Metamizole to 4-Aminoantipyrine,NA
3111,Metamizole,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O,Phase I,10618,4-Methylaminoantipyrine,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O>[Phase I]>CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC Metamizole to 4-Methylaminoantipyrine,NA
3111,Metamizole,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O,Phase I,2206,Phenazone (antipyrine),CC1=CC(=O)N(N1C)C2=CC=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O>[Phase I]>CC1=CC(=O)N(N1C)C2=CC=CC=C2 Metamizole to Phenazone (antipyrine),NA
4091,Metformin,CN(C)C(=N)N=C(N)N,Phase I,8859,Guanylurea,C(=NC(=O)N)(N)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)C(=N)N=C(N)N>[Phase I]>C(=NC(=O)N)(N)N Metformin to Guanylurea,NA
4091,Metformin,CN(C)C(=N)N=C(N)N,Phase I,7913,Biuret,C(=O)(N)NC(=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)C(=N)N=C(N)N>[Phase I]>C(=O)(N)NC(=O)N Metformin to Biuret,NA
4095,Methadone,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,Phase I,219704,"4-Dimethylamino-2,2-diphenylvaleric acid",CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O)N(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ahmad et al., Biochem. Pharmacol., 153, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I]>CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O)N(C)C Methadone to 4-Dimethylamino-2,2-diphenylvaleric acid",NA
4095,Methadone,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,Phase I,219704,"4-Methylamino-2,2-diphenylvaleric acid",O=C(O)C(C1=CC=CC=C1)(CC(N(C)C)C)C2=CC=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ahmad et al., Biochem. Pharmacol., 153, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I]>O=C(O)C(C1=CC=CC=C1)(CC(N(C)C)C)C2=CC=CC=C2 Methadone to 4-Methylamino-2,2-diphenylvaleric acid",NA
4095,Methadone,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,Phase I,169501981,p-Hydroxynormethadol,CCC(O)C(C1=CC=C(O)C=C1)(C2=CC=CC=C2)CC(NC)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ahmad et al., Biochem. Pharmacol., 153, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I]>CCC(O)C(C1=CC=C(O)C=C1)(C2=CC=CC=C2)CC(NC)C Methadone to p-Hydroxynormethadol,NA
4095,Methadone,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,Phase I,135027,Normethadol,CCC(C(CC(C)NC)(C1=CC=CC=C1)C2=CC=CC=C2)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wiessing et al., Assessing illicit drugs in wastewater (pp. 79-91), Ch. 6, 2008",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I]>CCC(C(CC(C)NC)(C1=CC=CC=C1)C2=CC=CC=C2)O Methadone to Normethadol,NA
4095,Methadone,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,Phase I,76835061,p-Hydroxy-EDDP,C/C=C1C(C2=CC=CC=C2)(C3=CC=C(O)C=C3)CC(C)N/1C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ahmad et al., Biochem. Pharmacol., 153, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I]>C/C=C1C(C2=CC=CC=C2)(C3=CC=C(O)C=C3)CC(C)N/1C Methadone to p-Hydroxy-EDDP,NA
4095,Methadone,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,Phase I,28397,Methadol,CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wiessing et al., Assessing illicit drugs in wastewater (pp. 79-91), Ch. 6, 2008",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I]>CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)O Methadone to Methadol,NA
4095,Methadone,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,Phase I,5378015,"2-Ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium (EDDP)",C/C=C\1/C(CC(N1C)C)(C2=CC=CC=C2)C3=CC=CC=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I]>C/C=C\1/C(CC(N1C)C)(C2=CC=CC=C2)C3=CC=CC=C3 Methadone to 2-Ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium (EDDP)",NA
4095,Methadone,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,Phase I,3082532,p-Hydroxymethadone,CCC(C(C1=CC=CC=C1)(C2=CC=C(O)C=C2)CC(N(C)C)C)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ahmad et al., Biochem. Pharmacol., 153, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I]>CCC(C(C1=CC=CC=C1)(C2=CC=C(O)C=C2)CC(N(C)C)C)=O Methadone to p-Hydroxymethadone,NA
4095,Methadone,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,Phase I,207584,"1,5-Dimethyl-3,3-diphenyl-2-pyrrolidine",O=C1C(C2=CC=CC=C2)(CC(N1C)C)C3=CC=CC=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ahmad et al., Biochem. Pharmacol., 153, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I]>O=C1C(C2=CC=CC=C2)(CC(N1C)C)C3=CC=CC=C3 Methadone to 1,5-Dimethyl-3,3-diphenyl-2-pyrrolidine",NA
4095,Methadone,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,Phase I,132159243,p-Hydroxy-EMDP,CCC1=NC(C)CC1(C2=CC=C(O)C=C2)C3=CC=CC=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Ahmad et al., Biochem. Pharmacol., 153, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I]>CCC1=NC(C)CC1(C2=CC=C(O)C=C2)C3=CC=CC=C3 Methadone to p-Hydroxy-EMDP,NA
4095,Methadone,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,Phase I,9879368,"2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline (EMDP)",CCC1=NC(CC1(C2=CC=CC=C2)C3=CC=CC=C3)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2>[Phase I]>CCC1=NC(CC1(C2=CC=CC=C2)C3=CC=CC=C3)C Methadone to 2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline (EMDP)",NA
4374,Methylephedrine,CC(C(C1=CC=CC=C1)O)N(C)C,Phase I,26934,Norephedrine,C[C@H]([C@H](C1=CC=CC=C1)O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C(C1=CC=CC=C1)O)N(C)C>[Phase I]>C[C@H]([C@H](C1=CC=CC=C1)O)N Methylephedrine to Norephedrine,NA
4374,Methylephedrine,CC(C(C1=CC=CC=C1)O)N(C)C,Phase I,4447749,ortho-Hydroxymethylephedrine,CC(N(C)C)C(O)C1=CC=CC=C1O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C(C1=CC=CC=C1)O)N(C)C>[Phase I]>CC(N(C)C)C(O)C1=CC=CC=C1O Methylephedrine to ortho-Hydroxymethylephedrine,NA
4374,Methylephedrine,CC(C(C1=CC=CC=C1)O)N(C)C,Phase I,162915350,meta-Hydroxymethylephedrine,CC(N(C)C)C(O)C1=CC=CC(O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C(C1=CC=CC=C1)O)N(C)C>[Phase I]>CC(N(C)C)C(O)C1=CC=CC(O)=C1 Methylephedrine to meta-Hydroxymethylephedrine,NA
4374,Methylephedrine,CC(C(C1=CC=CC=C1)O)N(C)C,Phase I,9294,Ephedrine,C[C@@H]([C@@H](C1=CC=CC=C1)O)NC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C(C1=CC=CC=C1)O)N(C)C>[Phase I]>C[C@@H]([C@@H](C1=CC=CC=C1)O)NC Methylephedrine to Ephedrine,NA
4374,Methylephedrine,CC(C(C1=CC=CC=C1)O)N(C)C,Phase I,13509426,Methylephedrine-N-oxide,CC(C(C1=CC=CC=C1)O)[N+](C)(C)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C(C1=CC=CC=C1)O)N(C)C>[Phase I]>CC(C(C1=CC=CC=C1)O)[N+](C)(C)[O-] Methylephedrine to Methylephedrine-N-oxide,NA
4158,Methylphenidate,COC(=O)C(C1CCCCN1)C2=CC=CC=C2,Phase I,86863,α-Phenyl-2-piperidine acetic acid (ritalinic acid),C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC(=O)C(C1CCCCN1)C2=CC=CC=C2>[Phase I]>C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O Methylphenidate to α-Phenyl-2-piperidine acetic acid (ritalinic acid),NA
4158,Methylphenidate,COC(=O)C(C1CCCCN1)C2=CC=CC=C2,Phase I,3080846,Ethylphenidate,CCOC(=O)C(C1CCCCN1)C2=CC=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Markowitz et al., Pharmacotherapy, 23(10), 2003",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC(=O)C(C1CCCCN1)C2=CC=CC=C2>[Phase I]>CCOC(=O)C(C1CCCCN1)C2=CC=CC=C2 Methylphenidate to Ethylphenidate,NA
4158,Methylphenidate,COC(=O)C(C1CCCCN1)C2=CC=CC=C2,Phase I,10332290,p-Hydroxymethylphenidate,COC(C(C1=CC=C(O)C=C1)C2CCCCN2)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Markowitz et al., Pharmacotherapy, 23(10), 2003",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC(=O)C(C1CCCCN1)C2=CC=CC=C2>[Phase I]>COC(C(C1=CC=C(O)C=C1)C2CCCCN2)=O Methylphenidate to p-Hydroxymethylphenidate,NA
4158,Methylphenidate,COC(=O)C(C1CCCCN1)C2=CC=CC=C2,Phase I,12858703,Deesterified lactam,OC(C(C1CCCCN1)C2=CC=C(C=C2)O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Markowitz et al., Pharmacotherapy, 23(10), 2003",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC(=O)C(C1CCCCN1)C2=CC=CC=C2>[Phase I]>OC(C(C1CCCCN1)C2=CC=C(C=C2)O)=O Methylphenidate to Deesterified lactam,NA
4158,Methylphenidate,COC(=O)C(C1CCCCN1)C2=CC=CC=C2,Phase I,12858703,Deesterified p-hydroxymethylphenidate,OC(C(C1CCCCN1)C2=CC=C(C=C2)O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Markowitz et al., Pharmacotherapy, 23(10), 2003",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC(=O)C(C1CCCCN1)C2=CC=CC=C2>[Phase I]>OC(C(C1CCCCN1)C2=CC=C(C=C2)O)=O Methylphenidate to Deesterified p-hydroxymethylphenidate,NA
4158,Methylphenidate,COC(=O)C(C1CCCCN1)C2=CC=CC=C2,Phase I,53982816,Lactam,COC(=O)C(C1CCCC(=O)N1)C2=CC=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Markowitz et al., Pharmacotherapy, 23(10), 2003",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC(=O)C(C1CCCCN1)C2=CC=CC=C2>[Phase I]>COC(=O)C(C1CCCC(=O)N1)C2=CC=CC=C2 Methylphenidate to Lactam,NA
4168,Metoclopramide,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,Phase I + II,169501799,Hydroxymetoclopramide-glucuronide (M6),CCN(CCNC(C1=CC(Cl)=C(N)C(OC2OC(C(C(C2O)O)O)C(O)=O)=C1OC)=O)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl>[Phase I + II]>CCN(CCNC(C1=CC(Cl)=C(N)C(OC2OC(C(C(C2O)O)O)C(O)=O)=C1OC)=O)CC Metoclopramide to Hydroxymetoclopramide-glucuronide (M6),NA
4168,Metoclopramide,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,Phase I + II,169502211,Hydroxymetoclopramide-glucuronide (M8),CCN(CCNC(C1=C(OC2OC(C(C(C2O)O)O)C(O)=O)C(Cl)=C(N)C=C1OC)=O)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl>[Phase I + II]>CCN(CCNC(C1=C(OC2OC(C(C(C2O)O)O)C(O)=O)C(Cl)=C(N)C=C1OC)=O)CC Metoclopramide to Hydroxymetoclopramide-glucuronide (M8),NA
4168,Metoclopramide,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,Phase II,92023956,Metoclopramide-N4-glucuronide (M7),CCN(CCNC(C1=CC(Cl)=C(NC2OC(C(O)=O)C(O)C(O)C2O)C=C1OC)=O)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl>[Phase II]>CCN(CCNC(C1=CC(Cl)=C(NC2OC(C(O)=O)C(O)C(O)C2O)C=C1OC)=O)CC Metoclopramide to Metoclopramide-N4-glucuronide (M7),NA
4168,Metoclopramide,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,Phase II,169502083,Metoclopramide-N4-O-glucuronide (M1),CCN(CC)CCNC(C1=CC(Cl)=C(C=C1OC)NOC2OC(C(C(C2O)O)O)C(O)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl>[Phase II]>CCN(CC)CCNC(C1=CC(Cl)=C(C=C1OC)NOC2OC(C(C(C2O)O)O)C(O)=O)=O Metoclopramide to Metoclopramide-N4-O-glucuronide (M1),NA
4168,Metoclopramide,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,Phase I,169501906,"Hydroxymetoclopramide (M4, hydroxylation at different positions of the ring possible)",CCN(CCNC(C1=CC(Cl)=C(N)C(O)=C1OC)=O)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl>[Phase I]>CCN(CCNC(C1=CC(Cl)=C(N)C(O)=C1OC)=O)CC Metoclopramide to Hydroxymetoclopramide (M4, hydroxylation at different positions of the ring possible)",NA
4168,Metoclopramide,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,Phase I,169501962,Metoclopramidehydroxylamine (intermediate to M1),CCN(CC)CCN=C(C1CC(C(CC1OC)NO)Cl)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl>[Phase I]>CCN(CC)CCN=C(C1CC(C(CC1OC)NO)Cl)O Metoclopramide to Metoclopramidehydroxylamine (intermediate to M1),NA
4168,Metoclopramide,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,Phase I,71358123,Metoclopramide metabolite M10,CCN(CCNC(C1=CC(Cl)=C([N+]([O-])=O)C=C1OC)=O)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl>[Phase I]>CCN(CCNC(C1=CC(Cl)=C([N+]([O-])=O)C=C1OC)=O)CC Metoclopramide to Metoclopramide metabolite M10,NA
4168,Metoclopramide,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,Phase I,135195205,Metoclopramide metabolite M9,CCN(CCNC(C1=CC(Cl)=C(NC(O)=O)C=C1OC)=O)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl>[Phase I]>CCN(CCNC(C1=CC(Cl)=C(NC(O)=O)C=C1OC)=O)CC Metoclopramide to Metoclopramide metabolite M9,NA
4168,Metoclopramide,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,Phase II,14621640,Metoclopramide-N4-sulfonate (M2),CCN(CCNC(C1=CC(Cl)=C(NS(=O)(O)=O)C=C1OC)=O)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl>[Phase II]>CCN(CCNC(C1=CC(Cl)=C(NS(=O)(O)=O)C=C1OC)=O)CC Metoclopramide to Metoclopramide-N4-sulfonate (M2),NA
4168,Metoclopramide,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,Phase I,15188246,N-Des(2-diethylamino)metoclopramide Acetic Acid (M5),O=C(C1=CC(Cl)=C(N)C=C1OC)NCC(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl>[Phase I]>O=C(C1=CC(Cl)=C(N)C=C1OC)NCC(O)=O Metoclopramide to N-Des(2-diethylamino)metoclopramide Acetic Acid (M5),NA
4168,Metoclopramide,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,Phase I,169502200,Metoclopramide aldehyde metabolite (intermediate to M5),O=C(NCC([H])=O)C1=CC(Cl)=C(C=C1OC)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl>[Phase I]>O=C(NCC([H])=O)C1=CC(Cl)=C(C=C1OC)N Metoclopramide to Metoclopramide aldehyde metabolite (intermediate to M5),NA
4168,Metoclopramide,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,Phase I,101676518,Monodesethylmetoclopramide (M3),CCNCCNC(=O)C1=CC(=C(C=C1OC)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl>[Phase I]>CCNCCNC(=O)C1=CC(=C(C=C1OC)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl Metoclopramide to Monodesethylmetoclopramide (M3),NA
4171,Metoprolol,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,Phase I,92978216,Desisopropylmetoprolol,COCCC1=CC=C(C=C1)OC[C@@H](CN)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O>[Phase I]>COCCC1=CC=C(C=C1)OC[C@@H](CN)O Metoprolol to Desisopropylmetoprolol,NA
4171,Metoprolol,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,Phase I,10354230,Des(Isopropoxyethyl)bisoprolol,CC(C)NCC(COC1=CC=C(C=C1)CO)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O>[Phase I]>CC(C)NCC(COC1=CC=C(C=C1)CO)O Metoprolol to Des(Isopropoxyethyl)bisoprolol,NA
4171,Metoprolol,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,Phase I,114962,α-Hydroxymetoprolol,CC(C)NCC(COC1=CC=C(C=C1)C(COC)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O>[Phase I]>CC(C)NCC(COC1=CC=C(C=C1)C(COC)O)O Metoprolol to α-Hydroxymetoprolol,NA
4171,Metoprolol,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,Phase I,162181,O-Desmethylmetoprolol,CC(C)NCC(COC1=CC=C(C=C1)CCO)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,Soil microcosms,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O>[Phase I]>CC(C)NCC(COC1=CC=C(C=C1)CCO)O Metoprolol to O-Desmethylmetoprolol,NA
4171,Metoprolol,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,Phase I,12540204,4-(2-Hydroxy-3-isopropylaminopropoxy)benzoic Acid,CC(C)NCC(COC1=CC=C(C=C1)C(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O>[Phase I]>CC(C)NCC(COC1=CC=C(C=C1)C(=O)O)O Metoprolol to 4-(2-Hydroxy-3-isopropylaminopropoxy)benzoic Acid,NA
4171,Metoprolol,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,Phase I,13621729,Metoprolol EP impurity C/Bisoprolol EP impurity L,CC(C)NCC(COC1=CC=C(C=C1)C=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O>[Phase I]>CC(C)NCC(COC1=CC=C(C=C1)C=O)O Metoprolol to Metoprolol EP impurity C/Bisoprolol EP impurity L,NA
4171,Metoprolol,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,Phase I,62936,Atenolol acid,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O>[Phase I]>CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O Metoprolol to Atenolol acid,NA
4171,Metoprolol,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,Phase I,13186849,Metoprolol EP impurity D,COCCC1=CC=C(C=C1)OCC(CO)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O>[Phase I]>COCCC1=CC=C(C=C1)OCC(CO)O Metoprolol to Metoprolol EP impurity D,NA
4173,Metronidazole,CC1=NC=C(N1CCO)[N+](=O)[O-],Phase I,115249,1-Carboxymethlymetronidazole ,CC1=NC=C([N+]([O-])=O)N1CC(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NC=C(N1CCO)[N+](=O)[O-]>[Phase I]>CC1=NC=C([N+]([O-])=O)N1CC(O)=O Metronidazole to 1-Carboxymethlymetronidazole ,NA
4173,Metronidazole,CC1=NC=C(N1CCO)[N+](=O)[O-],Phase I,121858,2-Hydroxymetronidazole (1-(2-hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole),C1=C(N(C(=N1)CO)CCO)[N+](=O)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NC=C(N1CCO)[N+](=O)[O-]>[Phase I]>C1=C(N(C(=N1)CO)CCO)[N+](=O)[O-] Metronidazole to 2-Hydroxymetronidazole (1-(2-hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole),NA
4173,Metronidazole,CC1=NC=C(N1CCO)[N+](=O)[O-],Phase II,151336,Metronidazole-sulfate,CC1=NC=C([N+]([O-])=O)N1CCOS(=O)(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NC=C(N1CCO)[N+](=O)[O-]>[Phase II]>CC1=NC=C([N+]([O-])=O)N1CCOS(=O)(O)=O Metronidazole to Metronidazole-sulfate,NA
4173,Metronidazole,CC1=NC=C(N1CCO)[N+](=O)[O-],Phase I,165301,N-(2-hydroxyethyl)-oxamic acid,C(CO)NC(=O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Zemanová et al., PLoS ONE, 16(11), 2021",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NC=C(N1CCO)[N+](=O)[O-]>[Phase I]>C(CO)NC(=O)C(=O)O Metronidazole to N-(2-hydroxyethyl)-oxamic acid,NA
4173,Metronidazole,CC1=NC=C(N1CCO)[N+](=O)[O-],Phase I,3028801,1-(2-Hydroxyethyl)-2-carboxyl-5-nitro-imidazole,C1=C(N(C(=N1)C(=O)O)CCO)[N+](=O)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NC=C(N1CCO)[N+](=O)[O-]>[Phase I]>C1=C(N(C(=N1)C(=O)O)CCO)[N+](=O)[O-] Metronidazole to 1-(2-Hydroxyethyl)-2-carboxyl-5-nitro-imidazole,NA
4173,Metronidazole,CC1=NC=C(N1CCO)[N+](=O)[O-],Phase II,97301414,Metronidazole-glucuronide,CC1=NC=C(N1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[N+](=O)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NC=C(N1CCO)[N+](=O)[O-]>[Phase II]>CC1=NC=C(N1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[N+](=O)[O-] Metronidazole to Metronidazole-glucuronide,NA
4173,Metronidazole,CC1=NC=C(N1CCO)[N+](=O)[O-],Phase I + II,169501813,2-Hydroxymetronidazole-sulfate,OCC1=NC=C([N+]([O-])=O)N1CCOS(=O)(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NC=C(N1CCO)[N+](=O)[O-]>[Phase I + II]>OCC1=NC=C([N+]([O-])=O)N1CCOS(=O)(O)=O Metronidazole to 2-Hydroxymetronidazole-sulfate,NA
4173,Metronidazole,CC1=NC=C(N1CCO)[N+](=O)[O-],Phase I + II,169502190,2-Hydroxymetronidazole-glucuronide,OCC1=NC=C([N+]([O-])=O)N1CCOC2OC(C(O)=O)C(O)C(O)C2O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NC=C(N1CCO)[N+](=O)[O-]>[Phase I + II]>OCC1=NC=C([N+]([O-])=O)N1CCOC2OC(C(O)=O)C(O)C(O)C2O Metronidazole to 2-Hydroxymetronidazole-glucuronide,NA
51537604,Minocycline,CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C,Phase I,54749602,4-Epiminocycline,CN(C)[C@@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Nelis et al., Drug Metab. Dispos., 10(2), 1982",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C>[Phase I]>CN(C)[C@@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C Minocycline to 4-Epiminocycline,NA
51537604,Minocycline,CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C,Phase I,54739048,Minocycline metabolite M3,[H]N(C)C1=CC=C(O)C2=C1C[C@@]1([H])C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C>[Phase I]>[H]N(C)C1=CC=C(O)C2=C1C[C@@]1([H])C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O Minocycline to Minocycline metabolite M3,NA
51537604,Minocycline,CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C,Phase I,91810539,4-Monodesmethylminocycline (Minocycline M7 Metabolite),[H]N(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(C[C@@]3([H])C[C@@]12[H])C(=CC=C4O)N(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C>[Phase I]>[H]N(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(C[C@@]3([H])C[C@@]12[H])C(=CC=C4O)N(C)C Minocycline to 4-Monodesmethylminocycline (Minocycline M7 Metabolite),NA
51537604,Minocycline,CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C,Phase I,91810538,9-Hydroxyminocycline,CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(=C(C=C4N(C)C)O)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C>[Phase I]>CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(=C(C=C4N(C)C)O)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O Minocycline to 9-Hydroxyminocycline,NA
9865528,Mirabegron,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O,Phase I,2018,Mirabegron metabolite M9,CC(=O)NC1=CC=C(C=C1)CC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O>[Phase I]>CC(=O)NC1=CC=C(C=C1)CC(=O)O Mirabegron to Mirabegron metabolite M9,NA
9865528,Mirabegron,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O,Phase I,52953008,Mirabegron metabolite M16 ,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)N)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O>[Phase I]>C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)N)O Mirabegron to Mirabegron metabolite M16 ,NA
9865528,Mirabegron,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O,Phase I,62799987,Mirabegron metabolite M8 ,C1=CC(=CC=C1CC(=O)O)NC(=O)CC2=CSC(=N2)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O>[Phase I]>C1=CC(=CC=C1CC(=O)O)NC(=O)CC2=CSC(=N2)N Mirabegron to Mirabegron metabolite M8 ,NA
9865528,Mirabegron,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O,Phase I,90376256,Mirabegron metabolite M5,CC(=O)NC1=CC=C(C=C1)CCNC[C@@H](C2=CC=CC=C2)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O>[Phase I]>CC(=O)NC1=CC=C(C=C1)CCNC[C@@H](C2=CC=CC=C2)O Mirabegron to Mirabegron metabolite M5,NA
9865528,Mirabegron,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O,Phase II,91810672,Mirabegron-O-glucuronide (M11),C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O>[Phase II]>C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O Mirabegron to Mirabegron-O-glucuronide (M11),NA
9865528,Mirabegron,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O,Phase I + II,91810673,Mirabegron metabolite M12 ,C1=CC=C(C=C1)C(=O)CN(CCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O>[Phase I + II]>C1=CC=C(C=C1)C(=O)CN(CCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O Mirabegron to Mirabegron metabolite M12 ,NA
9865528,Mirabegron,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O,Phase I + II,91810674,Mirabegron-N-carbamoyl-glucuronide (M13),C1=CC=C(C=C1)[C@H](CN(CCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O>[Phase I + II]>C1=CC=C(C=C1)[C@H](CN(CCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O Mirabegron to Mirabegron-N-carbamoyl-glucuronide (M13),NA
9865528,Mirabegron,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O,Phase II,91810675,Mirabegron-N-glucuronide (M14),C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O>[Phase II]>C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O Mirabegron to Mirabegron-N-glucuronide (M14),NA
9865528,Mirabegron,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O,Phase I + II,91810676,Mirabegron metabolite M15,C1=CC=C(C=C1)[C@H](CN(CCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O>[Phase I + II]>C1=CC=C(C=C1)[C@H](CN(CCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O Mirabegron to Mirabegron metabolite M15,NA
9865528,Mirabegron,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O,Phase I + II,169502113,Mirabegron metabolite M17 ,NC(C=C1)=C(OC2OC(C(O)=O)C(O)C(O)C2O)C=C1CCNCC(O)C3=CC=CC=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O>[Phase I + II]>NC(C=C1)=C(OC2OC(C(O)=O)C(O)C(O)C2O)C=C1CCNCC(O)C3=CC=CC=C3 Mirabegron to Mirabegron metabolite M17 ,NA
4205,Mirtazapine,CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4,Phase I,10467350,N-Didesmethylmirtazapine,C1CN2C(CN1)C3=CC=CC=C3CC4=C2N=CC=C4,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4>[Phase I]>C1CN2C(CN1)C3=CC=CC=C3CC4=C2N=CC=C4 Mirtazapine to N-Didesmethylmirtazapine,NA
4205,Mirtazapine,CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4,Phase I,11500131,8-Hydroxymirtazapine,CN1CCN2C(C1)C1=CC=CC=C1CC1=CC(O)=CN=C21,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4>[Phase I]>CN1CCN2C(C1)C1=CC=CC=C1CC1=CC(O)=CN=C21 Mirtazapine to 8-Hydroxymirtazapine,NA
4205,Mirtazapine,CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4,Phase I + II,46781841,8-Hydroxymirtazapine-glucuronide,CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC(=C4)O[C@H]5[C@H]([C@H]([C@@H](C(O5)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4>[Phase I + II]>CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC(=C4)O[C@H]5[C@H]([C@H]([C@@H](C(O5)C(=O)O)O)O)O Mirtazapine to 8-Hydroxymirtazapine-glucuronide,NA
4205,Mirtazapine,CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4,Phase I,46782381,Mirtazapine-N-oxide,C[N+]1(CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4>[Phase I]>C[N+]1(CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4)[O-] Mirtazapine to Mirtazapine-N-oxide,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,169502030,Moclobemide metabolite M8,O=C(C1=CC=C(Cl)C=C1)NCCN(C(C(O)=O)=O)CCO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>O=C(C1=CC=C(Cl)C=C1)NCCN(C(C(O)=O)=O)CCO Moclobemide to Moclobemide metabolite M8,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,85584807,Moclobemide metabolite M2,O=C(C1=CC=C(Cl)C=C1)NCCN(CCO)CCO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>O=C(C1=CC=C(Cl)C=C1)NCCN(CCO)CCO Moclobemide to Moclobemide metabolite M2,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,3082615,Moclobemide metabolite M4,O=C(C1=CC=C(Cl)C=C1)NCCNCCO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>O=C(C1=CC=C(Cl)C=C1)NCCNCCO Moclobemide to Moclobemide metabolite M4,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,169502116,Moclobemide metabolite M1,OC1COCCN1CCNC(C2=CC=C(C=C2)Cl)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>OC1COCCN1CCNC(C2=CC=C(C=C2)Cl)=O Moclobemide to Moclobemide metabolite M1,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,169502095,Moclobemide metabolite M18,O=C(C1=CC=C(Cl)C=C1)NCCN(C(CO)=O)CCO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>O=C(C1=CC=C(Cl)C=C1)NCCN(C(CO)=O)CCO Moclobemide to Moclobemide metabolite M18,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,169502014,Moclobemide metabolite M11,O=C(C1=CC=C(Cl)C=C1)NCCN2C(O)C(O)OCC2=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>O=C(C1=CC=C(Cl)C=C1)NCCN2C(O)C(O)OCC2=O Moclobemide to Moclobemide metabolite M11,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,86127855,Moclobemide metabolite M12,O=C(C1=CC=C(Cl)C=C1)NCCNC(CO)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>O=C(C1=CC=C(Cl)C=C1)NCCNC(CO)=O Moclobemide to Moclobemide metabolite M12,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,169501927,Moclobemide metabolite M6,C1CC(CCC1C(=O)NCCN1(=O)CCOCC1O)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>C1CC(CCC1C(=O)NCCN1(=O)CCOCC1O)Cl Moclobemide to Moclobemide metabolite M6,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,169502024,Moclobemide metabolite M3,O=C(C1=CC(O)=C(Cl)C=C1)NCCN2(CCOCC2)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>O=C(C1=CC(O)=C(Cl)C=C1)NCCN2(CCOCC2)=O Moclobemide to Moclobemide metabolite M3,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,169502175,Moclobemide metabolite M19,O=C(NCC[N]1(O)CCOCC1=O)C2=CC=C(C=C2)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>O=C(NCC[N]1(O)CCOCC1=O)C2=CC=C(C=C2)Cl Moclobemide to Moclobemide metabolite M19,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,169501915,Moclobemide metabolite M14,O=C(C1=CC=C(Cl)C=C1)NCCN2C(O)COCC2=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>O=C(C1=CC=C(Cl)C=C1)NCCN2C(O)COCC2=O Moclobemide to Moclobemide metabolite M14,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,169502151,Moclobemide metabolite M13,O=C(C1=CC=C(Cl)C=C1)NCCN2CC(O)OCC2=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>O=C(C1=CC=C(Cl)C=C1)NCCN2CC(O)OCC2=O Moclobemide to Moclobemide metabolite M13,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,169502288,Moclobemide metabolite M16,O=C(C1=CC=C(Cl)C=C1)NCCN2CCOC(O)C2=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>O=C(C1=CC=C(Cl)C=C1)NCCN2CCOC(O)C2=O Moclobemide to Moclobemide metabolite M16,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,85584809,Moclobemide metabolite M17,O=C(C1=CC=C(Cl)C=C1)NCCN(C=O)CCO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>O=C(C1=CC=C(Cl)C=C1)NCCN(C=O)CCO Moclobemide to Moclobemide metabolite M17,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,163052,Moclobemide metabolite M5,C1COCC[N+]1(CCNC(=O)C2=CC=C(C=C2)Cl)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>C1COCC[N+]1(CCNC(=O)C2=CC=C(C=C2)Cl)[O-] Moclobemide to Moclobemide metabolite M5,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,126278,Moclobemide metabolite M15,O=C(C1=CC=C(Cl)C=C1)NCCN2CCOCC2=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>O=C(C1=CC=C(Cl)C=C1)NCCN2CCOCC2=O Moclobemide to Moclobemide metabolite M15,NA
4235,Moclobemide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,Phase I,26009,Moclobemide metabolite M9,C1=CC(=CC=C1C(=O)NCC(=O)O)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl>[Phase I]>C1=CC(=CC=C1C(=O)NCC(=O)O)Cl Moclobemide to Moclobemide metabolite M9,NA
35949,Morclofone,COC1=CC(=CC(=C1OCCN2CCOCC2)OC)C(=O)C3=CC=C(C=C3)Cl,Phase II,169502126,Morclofone-glucuronide,COC1=CC(=CC(=C1OCC[N+]2(CCOCC2)C3OC(C(O)=O)C(C(C3O)O)O)OC)C(=O)C4=CC=C(C=C4)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",Biotransformer AllHuman,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC(=CC(=C1OCCN2CCOCC2)OC)C(=O)C3=CC=C(C=C3)Cl>[Phase II]>COC1=CC(=CC(=C1OCC[N+]2(CCOCC2)C3OC(C(O)=O)C(C(C3O)O)O)OC)C(=O)C4=CC=C(C=C4)Cl Morclofone to Morclofone-glucuronide,NA
5288826,Morphine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,0,5284371,Codeine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O>[0]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O Morphine to Codeine,NA
5288826,Morphine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,"Phase I + II, Phase II",5360621,Morphine-6-glucuronide,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O>[Phase I + II, Phase II]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O Morphine to Morphine-6-glucuronide",NA
5288826,Morphine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,Phase I,5362459,Morphine-N-Oxide,C[N+]1(CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O>[Phase I]>C[N+]1(CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)[O-] Morphine to Morphine-N-Oxide,NA
5288826,Morphine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,Phase II,5462507,6-Acetylmorphine,CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O>[Phase II]>CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C Morphine to 6-Acetylmorphine,NA
5288826,Morphine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,Phase I,5462508,Normorphine,C1CN[C@@H]2CC3=C4[C@@]15[C@H]2C=C[C@@H]([C@@H]5OC4=C(C=C3)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O>[Phase I]>C1CN[C@@H]2CC3=C4[C@@]15[C@H]2C=C[C@@H]([C@@H]5OC4=C(C=C3)O)O Morphine to Normorphine,NA
5288826,Morphine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,"Phase I + II, Phase II",5484063,Morphine-6-sulfate,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(O[C@H]3[C@@H](OS(=O)(O)=O)C=C4)=C(O)C=C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O>[Phase I + II, Phase II]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(O[C@H]3[C@@H](OS(=O)(O)=O)C=C4)=C(O)C=C5 Morphine to Morphine-6-sulfate",NA
5288826,Morphine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,"Phase I + II, Phase II",5484731,Morphine-3-glucuronide,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O[C@H]3[C@H](C=C4)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O>[Phase I + II, Phase II]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O[C@H]3[C@H](C=C4)O Morphine to Morphine-3-glucuronide",NA
5288826,Morphine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,Phase I + II,5492315,Normorphine-6-glucuronide,OC(C=C1)=C(O[C@H]2[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O3)C=C4)C5=C1C[C@@H]6[C@H]4[C@@]52CCN6,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Bachs, Impairment and traffic accident risk related to opioid use in Norway, 2010",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O>[Phase I + II]>OC(C=C1)=C(O[C@H]2[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O3)C=C4)C5=C1C[C@@H]6[C@H]4[C@@]52CCN6 Morphine to Normorphine-6-glucuronide,NA
5288826,Morphine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,"Phase I + II, Phase II",11814263,"Morphine-3,6-diglucuronide",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(O[C@H]3[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O6)C=C4)=C(O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O7)C=C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Bachs, Impairment and traffic accident risk related to opioid use in Norway, 2010",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O>[Phase I + II, Phase II]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(O[C@H]3[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O6)C=C4)=C(O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O7)C=C5 Morphine to Morphine-3,6-diglucuronide",NA
5288826,Morphine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,"Phase I + II, Phase II",18666969,Morphine-3-sulfate,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(O[C@H]3[C@@H](O)C=C4)=C(OS(=O)(O)=O)C=C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O>[Phase I + II, Phase II]>CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(O[C@H]3[C@@H](O)C=C4)=C(OS(=O)(O)=O)C=C5 Morphine to Morphine-3-sulfate",NA
5288826,Morphine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,"Phase I + II, Phase II",50940757,Morphine-ethereal-sulfate,[H][C@@]12OC3=C(C=CC4=C3[C@@]15CCN([C@](C4)([C@@]5(C=C[C@@H]2OS(O)(=O)=O)[H])[H])C)OS(O)(=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O>[Phase I + II, Phase II]>[H][C@@]12OC3=C(C=CC4=C3[C@@]15CCN([C@](C4)([C@@]5(C=C[C@@H]2OS(O)(=O)=O)[H])[H])C)OS(O)(=O)=O Morphine to Morphine-ethereal-sulfate",NA
5288826,Morphine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,Phase I + II,101610589,Normorphine-3-glucuronide,O=C(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C=C2)=C(O[C@H]3[C@@H](O)C=C4)C5=C2C[C@@H]6[C@H]4[C@@]53CCN6,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Bachs, Impairment and traffic accident risk related to opioid use in Norway, 2010",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O>[Phase I + II]>O=C(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C=C2)=C(O[C@H]3[C@@H](O)C=C4)C5=C2C[C@@H]6[C@H]4[C@@]53CCN6 Morphine to Normorphine-3-glucuronide,NA
152946,Moxifloxacin,COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O,Phase II,46782402,Moxifloxacin-acyl-β-D-glucuronide,COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O[C@@H]6C(C([C@H](C(O6)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O>[Phase II]>COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O[C@@H]6C(C([C@H](C(O6)C(=O)O)O)O)O Moxifloxacin to Moxifloxacin-acyl-β-D-glucuronide,NA
152946,Moxifloxacin,COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O,Phase II,71750858,Moxifloxacin-N-sulfate,COC1=C2C(=CC(=C1N3C[C@@H]4CCCN([C@@H]4C3)S(=O)(=O)O)F)C(=O)C(=CN2C5CC5)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O>[Phase II]>COC1=C2C(=CC(=C1N3C[C@@H]4CCCN([C@@H]4C3)S(=O)(=O)O)F)C(=O)C(=CN2C5CC5)C(=O)O Moxifloxacin to Moxifloxacin-N-sulfate,NA
5281078,Mycophenolate Mofetil,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O,Phase I,61163,N-(2-hydroxyethyl)-morpholine,C1COCCN1CCO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O>[Phase I]>C1COCCN1CCO Mycophenolate Mofetil to N-(2-hydroxyethyl)-morpholine,NA
5281078,Mycophenolate Mofetil,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O,Phase I,438968,N-(2-carboxymethyl)-morpholine,C1COCCN1CC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O>[Phase I]>C1COCCN1CC(=O)O Mycophenolate Mofetil to N-(2-carboxymethyl)-morpholine,NA
5281078,Mycophenolate Mofetil,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O,Phase I,446541,Mycophenolic acid (MPA),CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O>[Phase I]>CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O Mycophenolate Mofetil to Mycophenolic acid (MPA),NA
5281078,Mycophenolate Mofetil,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O,Phase I + II,6442661,Mycophenolic acid-glucuronide,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O>[Phase I + II]>CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O Mycophenolate Mofetil to Mycophenolic acid-glucuronide,NA
5281078,Mycophenolate Mofetil,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O,Phase I,25879063,6-O-Desmethyl-mycophenolic acid (DM-MPA),CC1=C2COC(=O)C2=C(C(=C1O)C/C=C(\C)/CCC(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O>[Phase I]>CC1=C2COC(=O)C2=C(C(=C1O)C/C=C(\C)/CCC(=O)O)O Mycophenolate Mofetil to 6-O-Desmethyl-mycophenolic acid (DM-MPA),NA
5281078,Mycophenolate Mofetil,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O,Phase I,130392110,N-(2-hydroxyethyl)-morpholine-N-oxide,C1COCCN1OCCO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O>[Phase I]>C1COCCN1OCCO Mycophenolate Mofetil to N-(2-hydroxyethyl)-morpholine-N-oxide,NA
5281078,Mycophenolate Mofetil,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O,Phase II,169501812,7-O-Mycophenolic acid-glucoside,CC1C2COC(=O)C2C(C(C1OC)C/C=C(\C)/CCC(=O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O>[Phase II]>CC1C2COC(=O)C2C(C(C1OC)C/C=C(\C)/CCC(=O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O Mycophenolate Mofetil to 7-O-Mycophenolic acid-glucoside,NA
5281078,Mycophenolate Mofetil,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O,Phase I + II,169502071,Mycophenolic-acyl-glucuronide (AcMPAG), CC1C2COC(=O)C2C(C(C1OC)C/C=C(\C)/CCC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O>[Phase I + II]> CC1C2COC(=O)C2C(C(C1OC)C/C=C(\C)/CCC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O Mycophenolate Mofetil to Mycophenolic-acyl-glucuronide (AcMPAG),NA
446541,Mycophenolic Acid,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O,Phase II,6442661,Mycophenolic acid-7-O-glucuronide,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O>[Phase II]>CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O Mycophenolic Acid to Mycophenolic acid-7-O-glucuronide,NA
446541,Mycophenolic Acid,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O,Phase II,10028772,Mycophenolic acid-acyl-glucuronide (MPAG),CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O>[Phase II]>CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O Mycophenolic Acid to Mycophenolic acid-acyl-glucuronide (MPAG),NA
446541,Mycophenolic Acid,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O,Phase I,25879063,6-O-Desmethyl-mycophenolic acid (DM-MPA),CC1=C2COC(=O)C2=C(C(=C1O)C/C=C(\C)/CCC(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O>[Phase I]>CC1=C2COC(=O)C2=C(C(=C1O)C/C=C(\C)/CCC(=O)O)O Mycophenolic Acid to 6-O-Desmethyl-mycophenolic acid (DM-MPA),NA
446541,Mycophenolic Acid,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O,Phase II,71750874,Mycophenolic acid-7-O-glucuoside,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O>[Phase II]>CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O Mycophenolic Acid to Mycophenolic acid-7-O-glucuoside,NA
4417,Naftidrofuryl,CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32,Phase I,53633114,3-(1-Naphthalenylmethyl)-tetrahydrofuran-2-one-5-propionic acid,O=C(OC(CCC(O)=O)C1)C1CC2=CC=CC3=CC=CC=C32,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Roth et al., Eur. J. Drug Metab. Pharmacokinet., 14(2), 1989",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32>[Phase I]>O=C(OC(CCC(O)=O)C1)C1CC2=CC=CC3=CC=CC=C32 Naftidrofuryl to 3-(1-Naphthalenylmethyl)-tetrahydrofuran-2-one-5-propionic acid,NA
4417,Naftidrofuryl,CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C33,Phase I,117180,Tetrahydro-β-(1-nephthalenylmethyl)-2-furanpropionic acid,C1CC(OC1)CC(CC2=CC=CC3=CC=CC=C32)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Roth et al., Eur. J. Drug Metab. Pharmacokinet., 14(2), 1989",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C33>[Phase I]>C1CC(OC1)CC(CC2=CC=CC3=CC=CC=C32)C(=O)O Naftidrofuryl to Tetrahydro-β-(1-nephthalenylmethyl)-2-furanpropionic acid,NA
5284596,Naloxone,C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O,Phase II,71311610,Naloxone-3-glucuronide,C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O4)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O>[Phase II]>C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O4)O Naloxone to Naloxone-3-glucuronide,NA
5284596,Naloxone,C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O,Phase I,5497189,Noroxymorphone,C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3)[C@H](C1=O)OC5=C(C=C4)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O>[Phase I]>C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3)[C@H](C1=O)OC5=C(C=C4)O)O Naloxone to Noroxymorphone,NA
5284596,Naloxone,C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O,Phase I,5492271,6α-Naloxol,C=CCN1CC[C@]23[C@@H]4[C@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O>[Phase I]>C=CCN1CC[C@]23[C@@H]4[C@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)O Naloxone to 6α-Naloxol,NA
156391,Naproxen,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O,Phase I + II,9971778,O-Desmethylnaproxen-sulfate,CC(C1=CC2=C(C=C1)C=C(C=C2)OS(=O)(=O)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O>[Phase I + II]>CC(C1=CC2=C(C=C1)C=C(C=C2)OS(=O)(=O)O)C(=O)O Naproxen to O-Desmethylnaproxen-sulfate,NA
156391,Naproxen,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O,Phase I,13393711,O-Desmethylnaproxen,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O>[Phase I]>C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)O)C(=O)O Naproxen to O-Desmethylnaproxen,NA
156391,Naproxen,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O,Phase I + II,169437917,O-Desmethylnaproxen-acyl-glucuronide,CC(C(=O)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC2=C(C=C1)C=C(O)C=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O>[Phase I + II]>CC(C(=O)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC2=C(C=C1)C=C(O)C=C2 Naproxen to O-Desmethylnaproxen-acyl-glucuronide,NA
156391,Naproxen,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O,Phase I + II,169501798,O-Desmethylnaproxen-O-glucuronide,CC(C(O)=O)C1=CC2=C(C=C1)C=C(OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O>[Phase I + II]>CC(C(O)=O)C1=CC2=C(C=C1)C=C(OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C2 Naproxen to O-Desmethylnaproxen-O-glucuronide,NA
156391,Naproxen,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O,Phase II,169501932,Naproxen-O-glucuronide,COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C(=O)OC1O[C@@H]([C@@H](C)[C@H](C)[C@H]1C)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O>[Phase II]>COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C(=O)OC1O[C@@H]([C@@H](C)[C@H](C)[C@H]1C)C(O)=O Naproxen to Naproxen-O-glucuronide,NA
71301,Nebivolol,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O,Phase I + II,169501952,Non-aromatic ring hydroxynebivolol-glucuronide,FC1=CC(CCC(C(O)CNCC(O)C2CC(OC3OC(C(C(C3O)O)O)C(O)=O)C4=C(C=CC(F)=C4)O2)O5)=C5C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O>[Phase I + II]>FC1=CC(CCC(C(O)CNCC(O)C2CC(OC3OC(C(C(C3O)O)O)C(O)=O)C4=C(C=CC(F)=C4)O2)O5)=C5C=C1 Nebivolol to Non-aromatic ring hydroxynebivolol-glucuronide,NA
71301,Nebivolol,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O,Phase I + II,169502167,Aromatic ring hydroxynebivolol-glucuronide,FC1=CC(CCC(C(O)CNCC(O)C2CCC3=C(C=CC(F)=C3)O2)O4)=C4C=C1OC5OC(C(C(C5O)O)O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O>[Phase I + II]>FC1=CC(CCC(C(O)CNCC(O)C2CCC3=C(C=CC(F)=C3)O2)O4)=C4C=C1OC5OC(C(C(C5O)O)O)C(O)=O Nebivolol to Aromatic ring hydroxynebivolol-glucuronide,NA
71301,Nebivolol,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O,Phase I,11693600,Dealkylnebivolol,NCC(O)C1CCC2=C(C=CC(F)=C2)O1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O>[Phase I]>NCC(O)C1CCC2=C(C=CC(F)=C2)O1 Nebivolol to Dealkylnebivolol,NA
71301,Nebivolol,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O,Phase I,71433853,4-Hydroxynebivolol,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CC(C4=C(O3)C=CC(=C4)F)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O>[Phase I]>C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CC(C4=C(O3)C=CC(=C4)F)O)O)O Nebivolol to 4-Hydroxynebivolol,NA
71301,Nebivolol,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O,Phase II,11613991,Nebivolol-glucuronide,FC1=CC(CCC(C(OC2OC(C(O)=O)C(O)C(O)C2O)CNCC(O)C3CCC4=C(C=CC(F)=C4)O3)O5)=C5C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O>[Phase II]>FC1=CC(CCC(C(OC2OC(C(O)=O)C(O)C(O)C2O)CNCC(O)C3CCC4=C(C=CC(F)=C4)O3)O5)=C5C=C1 Nebivolol to Nebivolol-glucuronide,NA
71301,Nebivolol,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O,Phase I,169502186,Hydroxynebivolol,FC1=CC(CCC(C(O)CNCC(O)C2CCC3=C(C=CC(F)=C3)O2)O4)=C4C=C1O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O>[Phase I]>FC1=CC(CCC(C(O)CNCC(O)C2CCC3=C(C=CC(F)=C3)O2)O4)=C4C=C1O Nebivolol to Hydroxynebivolol,NA
4463,Nevirapine,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,Phase I,453338,12-Hydroxynevirapine,C1CC1N2C3=C(C=CC=N3)C(=O)NC4=C(C=CN=C42)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4>[Phase I]>C1CC1N2C3=C(C=CC=N3)C(=O)NC4=C(C=CN=C42)CO Nevirapine to 12-Hydroxynevirapine,NA
4463,Nevirapine,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,Phase I,10709035,4-Carboxynevirapine,C1CC1N2C3=C(C=CC=N3)C(=O)NC4=C(C=CN=C42)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4>[Phase I]>C1CC1N2C3=C(C=CC=N3)C(=O)NC4=C(C=CN=C42)C(=O)O Nevirapine to 4-Carboxynevirapine,NA
4463,Nevirapine,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,Phase I,10755325,8-Hydroxynevirapine,CC1=C2C(=NC=C1)N(C3=C(C=C(C=N3)O)C(=O)N2)C4CC4,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4>[Phase I]>CC1=C2C(=NC=C1)N(C3=C(C=C(C=N3)O)C(=O)N2)C4CC4 Nevirapine to 8-Hydroxynevirapine,NA
4463,Nevirapine,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,Phase I,10850461,2-Hydroxynevirapine,CC1=CC(=O)NC2=C1NC(=O)C3=C(N2C4CC4)N=CC=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4>[Phase I]>CC1=CC(=O)NC2=C1NC(=O)C3=C(N2C4CC4)N=CC=C3 Nevirapine to 2-Hydroxynevirapine,NA
4463,Nevirapine,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,Phase I,10978907,3-Hydroxynevirapine,CC1=C2C(=NC=C1O)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4>[Phase I]>CC1=C2C(=NC=C1O)N(C3=C(C=CC=N3)C(=O)N2)C4CC4 Nevirapine to 3-Hydroxynevirapine,NA
4463,Nevirapine,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,Phase I + II,131769925,12-Hydroxynevirapine-glucuronide,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=N2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C5CC5O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4>[Phase I + II]>CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=N2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C5CC5O Nevirapine to 12-Hydroxynevirapine-glucuronide,NA
4463,Nevirapine,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,Phase I + II,131769929,2-Hydroxynevirapine-glucuronide,CC1=CC(=NC2=C1NC(=O)C3=C(N2C4CC4)N=CC=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4>[Phase I + II]>CC1=CC(=NC2=C1NC(=O)C3=C(N2C4CC4)N=CC=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O Nevirapine to 2-Hydroxynevirapine-glucuronide,NA
4463,Nevirapine,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,Phase I + II,131769937,3-Hydroxynevirapine-glucuronide,CC1=C2C(=NC=C1O)N(C3=C(C=CC=N3)C(=N2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C5CC5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4>[Phase I + II]>CC1=C2C(=NC=C1O)N(C3=C(C=CC=N3)C(=N2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C5CC5 Nevirapine to 3-Hydroxynevirapine-glucuronide,NA
4463,Nevirapine,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,Phase I + II,131770041,8-hydroxynevirapine-glucuronide,CC1=C2C(=NC=C1)N(C3=C(C=C(C=N3)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)C(=O)N2)C5CC5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4>[Phase I + II]>CC1=C2C(=NC=C1)N(C3=C(C=C(C=N3)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)C(=O)N2)C5CC5 Nevirapine to 8-hydroxynevirapine-glucuronide,NA
4463,Nevirapine,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,Phase I + II,169502241,4-Carboxynevirapine-glucuronide,OC1C(OC(C(C=CN=C23)=C2NC(C(C=CC=N4)=C4N3C5CC5)=O)=O)OC(C(O)=O)C(O)C1O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Fan-Havard et al., Antimicrob Agents Chemother., 57(5), 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4>[Phase I + II]>OC1C(OC(C(C=CN=C23)=C2NC(C(C=CC=N4)=C4N3C5CC5)=O)=O)OC(C(O)=O)C(O)C1O Nevirapine to 4-Carboxynevirapine-glucuronide,NA
4485,Nifedipine,CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,Phase I,21327179,2-Hydroxymethylpyridine carboxylic acid,CC1=C(CC=CN1)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC>[Phase I]>CC1=C(CC=CN1)C(=O)O Nifedipine to 2-Hydroxymethylpyridine carboxylic acid,NA
4485,Nifedipine,CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,Phase I,10664296,Desisobutylnisoldipine,CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC>[Phase I]>CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)O Nifedipine to Desisobutylnisoldipine,NA
4485,Nifedipine,CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,Phase I,128753,Dehydronifedipine,CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC>[Phase I]>CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC Nifedipine to Dehydronifedipine,NA
5497,Nikethamide,CCN(CC)C(=O)C1=CN=CC=C1,Phase I,72661,Nicotinamide-N-oxide,NC(C1=C[N+]([O-])=CC=C1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Delbeke and Debackere, Br. J. Sports Med., 10(3), 1976",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=O)C1=CN=CC=C1>[Phase I]>NC(C1=C[N+]([O-])=CC=C1)=O Nikethamide to Nicotinamide-N-oxide,NA
5497,Nikethamide,CCN(CC)C(=O)C1=CN=CC=C1,Phase I,936,Nicotinamide,NC(C1=CN=CC=C1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Delbeke and Debackere, Br. J. Sports Med., 10(3), 1976",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=O)C1=CN=CC=C1>[Phase I]>NC(C1=CN=CC=C1)=O Nikethamide to Nicotinamide,NA
5497,Nikethamide,CCN(CC)C(=O)C1=CN=CC=C1,Phase I,88987077,N-Ethyl-3-pyridinecarboxamide 1-oxide,CCNC(=O)C1=C[N+](=CC=C1)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Delbeke and Debackere, Br. J. Sports Med., 10(3), 1976",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=O)C1=CN=CC=C1>[Phase I]>CCNC(=O)C1=C[N+](=CC=C1)[O-] Nikethamide to N-Ethyl-3-pyridinecarboxamide 1-oxide,NA
5497,Nikethamide,CCN(CC)C(=O)C1=CN=CC=C1,Phase I,78007,N-Ethylnicotinamide,CCNC(C1=CN=CC=C1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Delbeke and Debackere, Br. J. Sports Med., 10(3), 1976",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=O)C1=CN=CC=C1>[Phase I]>CCNC(C1=CN=CC=C1)=O Nikethamide to N-Ethylnicotinamide,NA
5497,Nikethamide,CCN(CC)C(=O)C1=CN=CC=C1,Phase I,88385,Coramine-N-oxide,CCN(C(C1=C[N+]([O-])=CC=C1)=O)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Delbeke and Debackere, Br. J. Sports Med., 10(3), 1976",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN(CC)C(=O)C1=CN=CC=C1>[Phase I]>CCN(C(C1=C[N+]([O-])=CC=C1)=O)CC Nikethamide to Coramine-N-oxide,NA
4495,Nimesulide,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2,Phase I,130995,4'-Hydroxynimesulide (M1),CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2>[Phase I]>CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)O Nimesulide to 4'-Hydroxynimesulide (M1),NA
4495,Nimesulide,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2,Phase I,10731286,Nimesulide amino derviative (M2),CS(=O)(=O)NC1=C(C=C(C=C1)N)OC2=CC=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2>[Phase I]>CS(=O)(=O)NC1=C(C=C(C=C1)N)OC2=CC=CC=C2 Nimesulide to Nimesulide amino derviative (M2),NA
4495,Nimesulide,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2,Phase I,16663677,N-Acetylnimesulide M2 (M4),CS(=O)(NC1=C(OC2=CC=CC=C2)C=C(NC(C)=O)C=C1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2>[Phase I]>CS(=O)(NC1=C(OC2=CC=CC=C2)C=C(NC(C)=O)C=C1)=O Nimesulide to N-Acetylnimesulide M2 (M4),NA
4495,Nimesulide,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2,Phase I,86174746,N-Acetylnimesulide M2 (M5),CS(=O)(NC1=C(OC2=CC=C(O)C=C2)C=C(NC(C)=O)C=C1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2>[Phase I]>CS(=O)(NC1=C(OC2=CC=C(O)C=C2)C=C(NC(C)=O)C=C1)=O Nimesulide to N-Acetylnimesulide M2 (M5),NA
4495,Nimesulide,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2,Phase I,100923556,Nimesulide hydroxylated and reduced (M3),CS(=O)(NC1=C(OC2=CC=C(O)C=C2)C=C(N)C=C1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2>[Phase I]>CS(=O)(NC1=C(OC2=CC=C(O)C=C2)C=C(N)C=C1)=O Nimesulide to Nimesulide hydroxylated and reduced (M3),NA
4495,Nimesulide,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2,Phase I + II,169502063,4'-Hydroxynimesulide-glucuronide,CS(=O)(NC1=C(OC2=CC=C(OC3C([C@@H]([C@H]([C@@H]([C@H]3C(O)=O)O)O)O)O)C=C2)C=C([N+]([O-])=O)C=C1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2>[Phase I + II]>CS(=O)(NC1=C(OC2=CC=C(OC3C([C@@H]([C@H]([C@@H]([C@H]3C(O)=O)O)O)O)O)C=C2)C=C([N+]([O-])=O)C=C1)=O Nimesulide to 4'-Hydroxynimesulide-glucuronide,NA
135423438,Nintedanib,CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O,Phase I,135461425,Nintedanib metabolite BIBF 1202,CN(C(=O)CN1CCN(C)CC1)C1=CC=C(N\C(=C2/C(O)=NC3=C2C=CC(=C3)C(O)=O)C2=CC=CC=C2)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O>[Phase I]>CN(C(=O)CN1CCN(C)CC1)C1=CC=C(N\C(=C2/C(O)=NC3=C2C=CC(=C3)C(O)=O)C2=CC=CC=C2)C=C1 Nintedanib to Nintedanib metabolite BIBF 1202,NA
135423438,Nintedanib,CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O,Phase I,135837936,Nintedanib metabolite BIBF 1053,COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCNCC2)C2=CC=CC=C2)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O>[Phase I]>COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCNCC2)C2=CC=CC=C2)=C1 Nintedanib to Nintedanib metabolite BIBF 1053,NA
135423438,Nintedanib,CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O,Phase I,156614011,Nintedanib metabolite M4 ,CN(C(=O)CN1CCNCC1)C1=CC=C(N\C(=C2/C(=O)NC3=CC(=CC=C23)C(O)=O)C2=CC=CC=C2)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O>[Phase I]>CN(C(=O)CN1CCNCC1)C1=CC=C(N\C(=C2/C(=O)NC3=CC(=CC=C23)C(O)=O)C2=CC=CC=C2)C=C1 Nintedanib to Nintedanib metabolite M4 ,NA
135423438,Nintedanib,CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O,Phase II,169501935,Nintedanib metabolite M7 ,CN1CCN(CC(N(C2=CC=C(N=C(C3=C(OC4OC(C(O)=O)C(O)C(O)C4O)NC5=C3C=CC(C(OC)=O)=C5)C6=CC=CC=C6)C=C2)C)=O)CC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O>[Phase II]>CN1CCN(CC(N(C2=CC=C(N=C(C3=C(OC4OC(C(O)=O)C(O)C(O)C4O)NC5=C3C=CC(C(OC)=O)=C5)C6=CC=CC=C6)C=C2)C)=O)CC1 Nintedanib to Nintedanib metabolite M7 ,NA
135423438,Nintedanib,CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O,Phase I + II,169502018,Nintedanib metabolite BIBF 1202-glucuronide,CN1CCN(CC1)CC(=O)N(C)C1CCC(CC1)N/C(=C\1/C2CCC(CC2N=C1O)C(=O)C1C(C(C(C(C(=O)O)O1)O)O)O)/C1CCCCC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O>[Phase I + II]>CN1CCN(CC1)CC(=O)N(C)C1CCC(CC1)N/C(=C\1/C2CCC(CC2N=C1O)C(=O)C1C(C(C(C(C(=O)O)O1)O)O)O)/C1CCCCC1 Nintedanib to Nintedanib metabolite BIBF 1202-glucuronide,NA
135423438,Nintedanib,CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O,Phase I,169502276,Nintedanib metabolite M8 ,CN1CCN(CC(N(C2=CC=C(N=C(C3=C(O)NC4=C3C=CC(C(OC)=O)=C4)C5=CC=CC=C5)C=C2)C)=O)CC1O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O>[Phase I]>CN1CCN(CC(N(C2=CC=C(N=C(C3=C(O)NC4=C3C=CC(C(OC)=O)=C4)C5=CC=CC=C5)C=C2)C)=O)CC1O Nintedanib to Nintedanib metabolite M8 ,NA
6604200,Nitrofurantoin,C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-],Phase I,9577282,Aminofurantoin,C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]>[Phase I]>C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)N Nitrofurantoin to Aminofurantoin,NA
6604200,Nitrofurantoin,C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-],Phase I + II,169501909,N-Acetylnitrofurantoin,O=C(N1)CN(/N=C/C2=CC=C(NC(C)=O)O2)C1=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]>[Phase I + II]>O=C(N1)CN(/N=C/C2=CC=C(NC(C)=O)O2)C1=O Nitrofurantoin to N-Acetylnitrofurantoin,NA
6604200,Nitrofurantoin,C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-],Phase I + II,169501956,Nitrofurantoin glucuoronide,O=C(N1)CN(/N=C/C2=CC=C(NC3C(O)C(O)C(O)C(C(O)=O)O3)O2)C1=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]>[Phase I + II]>O=C(N1)CN(/N=C/C2=CC=C(NC3C(O)C(O)C(O)C(C(O)=O)O3)O2)C1=O Nitrofurantoin to Nitrofurantoin glucuoronide,NA
4539,Norfloxacin,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O,Phase I,12733924,7-Desethylnorfloxacin (M2),CCN1C=C(C(=O)C2=CC(=C(C=C21)NCCN)F)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O>[Phase I]>CCN1C=C(C(=O)C2=CC(=C(C=C21)NCCN)F)C(=O)O Norfloxacin to 7-Desethylnorfloxacin (M2),NA
4539,Norfloxacin,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O,Phase I,12733937,Norfloxacin metabolite M3,CCN1C=C(C(O)=O)C(C2=CC(F)=C(NCCNC(C)=O)C=C21)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O>[Phase I]>CCN1C=C(C(O)=O)C(C2=CC(F)=C(NCCNC(C)=O)C=C21)=O Norfloxacin to Norfloxacin metabolite M3,NA
4539,Norfloxacin,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O,Phase I,130830,4-Oxonorfloxacin (M1),CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(=O)C3)F)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O>[Phase I]>CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(=O)C3)F)C(=O)O Norfloxacin to 4-Oxonorfloxacin (M1),NA
4539,Norfloxacin,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O,Phase I,609884,Norfloxacin metabolite M5,CCN1C=C(C(O)=O)C(C2=CC(F)=C(N)C=C21)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O>[Phase I]>CCN1C=C(C(O)=O)C(C2=CC(F)=C(N)C=C21)=O Norfloxacin to Norfloxacin metabolite M5,NA
4539,Norfloxacin,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O,Phase I,12733934,N-Formylnorfloxacin (M42),CCN1C=C(C(O)=O)C(C2=CC(F)=C(N3CCN(C=O)CC3)C=C21)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O>[Phase I]>CCN1C=C(C(O)=O)C(C2=CC(F)=C(N3CCN(C=O)CC3)C=C21)=O Norfloxacin to N-Formylnorfloxacin (M42),NA
4539,Norfloxacin,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O,Phase I,156268,N-Acetylnorfloxacin (M41),CCN1C=C(C(O)=O)C(C2=CC(F)=C(N3CCN(C(C)=O)CC3)C=C21)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O>[Phase I]>CCN1C=C(C(O)=O)C(C2=CC(F)=C(N3CCN(C(C)=O)CC3)C=C21)=O Norfloxacin to N-Acetylnorfloxacin (M41),NA
130881,Olmesartan Medoxonil,CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O,Phase I,10510878,Olmesartan metabolite RNH-8097,CC1=C(CO)OC(O1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O>[Phase I]>CC1=C(CO)OC(O1)=O Olmesartan Medoxonil to Olmesartan metabolite RNH-8097,NA
130881,Olmesartan Medoxonil,CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O,Phase I,158781,Olmesartan,CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O>[Phase I]>CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O Olmesartan Medoxonil to Olmesartan,NA
4594,Omeprazole,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,Phase I,119560,5-Hydroxyomeprazole,CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)CO)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC>[Phase I]>CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)CO)OC Omeprazole to 5-Hydroxyomeprazole,NA
4594,Omeprazole,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,Phase I,71587579,3-Hydroxyomeprazole,COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=C(CO)C(OC)=C(C)C=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC>[Phase I]>COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=C(CO)C(OC)=C(C)C=N1 Omeprazole to 3-Hydroxyomeprazole,NA
4594,Omeprazole,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,Phase I,71587531,5-Hydroxyomeprazole-sulfone,CC1=C(OC)C(CO)=CN=C1CS(=O)(C2=NC3=C(C=C(OC)C=C3)N2)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC>[Phase I]>CC1=C(OC)C(CO)=CN=C1CS(=O)(C2=NC3=C(C=C(OC)C=C3)N2)=O Omeprazole to 5-Hydroxyomeprazole-sulfone,NA
4594,Omeprazole,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,Phase I,10404448,5'-O-Desmethylomeprazole,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC>[Phase I]>CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)O Omeprazole to 5'-O-Desmethylomeprazole,NA
4594,Omeprazole,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,Phase I,145900,Omeprazole-sulfone,CC1=CN=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC>[Phase I]>CC1=CN=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC Omeprazole to Omeprazole-sulfone,NA
3034010,Orlistat,CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,Phase I,14607538,Orlistat metabolite M32,CCCCCCCCCCC[C@H](O)C[C@@H](O)[C@H](CCCCCC)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O>[Phase I]>CCCCCCCCCCC[C@H](O)C[C@@H](O)[C@H](CCCCCC)C(O)=O Orlistat to Orlistat metabolite M32,NA
3034010,Orlistat,CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,Phase I,59434860,Orlistat open ring epimer (M1),CCCCCCCCCCC[C@@H](C[C@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O>[Phase I]>CCCCCCCCCCC[C@@H](C[C@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O Orlistat to Orlistat open ring epimer (M1),NA
3034010,Orlistat,CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,Phase I,169502243,Orlistat metabolite M31,CCCCCCCCCCCCC[C@@H](O)[C@H](CCCCCC)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O>[Phase I]>CCCCCCCCCCCCC[C@@H](O)[C@H](CCCCCC)C(O)=O Orlistat to Orlistat metabolite M31,NA
4616,Oxazepam,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,Phase II,160870,Oxazepam-glucuronide,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O>[Phase II]>C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O Oxazepam to Oxazepam-glucuronide,NA
4616,Oxazepam,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,Phase I,135428089,4'-Hydroxyoxazepam,O=C(NC1=C2C=C(Cl)C=C1)C(O)N=C2C3=CC=C(O)C=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O>[Phase I]>O=C(NC1=C2C=C(Cl)C=C1)C(O)N=C2C3=CC=C(O)C=C3 Oxazepam to 4'-Hydroxyoxazepam,NA
34312,Oxcarbazepine,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N,Phase I,9816485,(R)-Licarbazepine ,C1[C@H](C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N>[Phase I]>C1[C@H](C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O Oxcarbazepine to (R)-Licarbazepine ,NA
34312,Oxcarbazepine,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N,Phase I,9816485,(S)-Licarbazepine ,NC(=O)N1C2=CC=CC=C2C[C@@H](O)C2=C1C=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N>[Phase I]>NC(=O)N1C2=CC=CC=C2C[C@@H](O)C2=C1C=CC=C2 Oxcarbazepine to (S)-Licarbazepine ,NA
34312,Oxcarbazepine,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N,Phase I,13726064,"trans-10,11-Dihydro-10,11-dihydroxycarbamazepine",NC(=O)N1C2=CC=CC=C2[C@@H](O)[C@H](O)C2=C1C=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N>[Phase I]>NC(=O)N1C2=CC=CC=C2[C@@H](O)[C@H](O)C2=C1C=CC=C2 Oxcarbazepine to trans-10,11-Dihydro-10,11-dihydroxycarbamazepine",NA
34312,Oxcarbazepine,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N,Phase I,13726065,"cis-10,11-Dihydro-10,11-dihydroxycarbamazepine",C1=CC=C2C(=C1)[C@@H]([C@@H](C3=CC=CC=C3N2C(=O)N)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N>[Phase I]>C1=CC=C2C(=C1)[C@@H]([C@@H](C3=CC=CC=C3N2C(=O)N)O)O Oxcarbazepine to cis-10,11-Dihydro-10,11-dihydroxycarbamazepine",NA
34312,Oxcarbazepine,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N,Phase II,71316174,Oxcarbazepine-glucuronide,C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N>[Phase II]>C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O Oxcarbazepine to Oxcarbazepine-glucuronide,NA
34312,Oxcarbazepine,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N,Phase II,146675081,Oxcarbazepine-sulfate,C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)OS(=O)(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N>[Phase II]>C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)OS(=O)(=O)O Oxcarbazepine to Oxcarbazepine-sulfate,NA
34312,Oxcarbazepine,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N,Phase I + II,169501820,(R)-MHD-glucuronide ,NC(=O)N1C2=CC=CC=C2[C@H](CC2=C1C=CC=C2)OC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N>[Phase I + II]>NC(=O)N1C2=CC=CC=C2[C@H](CC2=C1C=CC=C2)OC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O Oxcarbazepine to (R)-MHD-glucuronide ,NA
34312,Oxcarbazepine,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N,Phase I + II,169501821,(S)-MHD-glucuronide ,NC(=O)N1C2=CC=CC=C2C[C@@H](OC2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C2=C1C=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N>[Phase I + II]>NC(=O)N1C2=CC=CC=C2C[C@@H](OC2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C2=C1C=CC=C2 Oxcarbazepine to (S)-MHD-glucuronide ,NA
5284603,Oxycodone,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O,Phase I,5284604,Oxymorphone,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CCC2=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O>[Phase I]>[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CCC2=O Oxycodone to Oxymorphone,NA
5284603,Oxycodone,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O,Phase I,5489120,Noroxycodone,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN[C@]([H])(C4)[C@]1(O)CCC2=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O>[Phase I]>[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN[C@]([H])(C4)[C@]1(O)CCC2=O Oxycodone to Noroxycodone,NA
5284603,Oxycodone,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O,Phase I,5497189,Noroxymorphone,C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3)[C@H](C1=O)OC5=C(C=C4)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O>[Phase I]>C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3)[C@H](C1=O)OC5=C(C=C4)O)O Oxycodone to Noroxymorphone,NA
5284603,Oxycodone,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O,Phase I,6712731,α-Oxymorphol,CN1CC[C@]23[C@@H]4C(CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O>[Phase I]>CN1CC[C@]23[C@@H]4C(CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)O Oxycodone to α-Oxymorphol,NA
5284603,Oxycodone,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O,Phase I,21779240,β-Oxymorphol,CN1CC[C@]23[C@@H]4[C@@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O>[Phase I]>CN1CC[C@]23[C@@H]4[C@@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)O Oxycodone to β-Oxymorphol,NA
5284603,Oxycodone,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O,Phase I,69087507,α-Oxycodol,CN1CC[C@]23[C@@H]4[C@H](CC[C@]2(C1CC5=C3C(=C(C=C5)OC)O4)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O>[Phase I]>CN1CC[C@]23[C@@H]4[C@H](CC[C@]2(C1CC5=C3C(=C(C=C5)OC)O4)O)O Oxycodone to α-Oxycodol,NA
5284603,Oxycodone,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O,Phase I,129839794,α-Noroxycodol,[H][C@@]12CC3=C4C(O[C@H]5[C@@H](O)CC[C@]1(O)[C@@]45CCN2)=C(OC)C=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O>[Phase I]>[H][C@@]12CC3=C4C(O[C@H]5[C@@H](O)CC[C@]1(O)[C@@]45CCN2)=C(OC)C=C3 Oxycodone to α-Noroxycodol,NA
5284603,Oxycodone,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O,Phase I,131770022,β-Noroxycodol,[H]C12CC3=C4C(O[C@H]5[C@H](O)CC[C@]1(O)[C@@]45CCN2)=C(OC)C=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O>[Phase I]>[H]C12CC3=C4C(O[C@H]5[C@H](O)CC[C@]1(O)[C@@]45CCN2)=C(OC)C=C3 Oxycodone to β-Noroxycodol,NA
5284603,Oxycodone,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O,Phase I,131770023,β-Oxycodol,[H]C12CC3=C4C(O[C@H]5[C@H](O)CC[C@]1(O)[C@@]45CCN2C)=C(OC)C=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O>[Phase I]>[H]C12CC3=C4C(O[C@H]5[C@H](O)CC[C@]1(O)[C@@]45CCN2C)=C(OC)C=C3 Oxycodone to β-Oxycodol,NA
4679,Pantoprazole,COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC,Phase I,195546,Pantoprazole-sulfone,COC1=C(C(=NC=C1)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC>[Phase I]>COC1=C(C(=NC=C1)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC Pantoprazole to Pantoprazole-sulfone,NA
4679,Pantoprazole,COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC,Phase I,9951196,4-Desmethylpantoprazole,COC1=C(NC=CC1=O)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC>[Phase I]>COC1=C(NC=CC1=O)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F Pantoprazole to 4-Desmethylpantoprazole,NA
4679,Pantoprazole,COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC,Phase I + II,45038893,4-Desmethylpantoprazole-4-hydrogen-sulfate,COC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OS(=O)(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC>[Phase I + II]>COC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OS(=O)(=O)O Pantoprazole to 4-Desmethylpantoprazole-4-hydrogen-sulfate,NA
1983,Paracetamol,CC(=O)NC1=CC=C(C=C1)O,Phase I,39763,Acetimidoquinone (NAPQI),CC(=O)N=C1C=CC(=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1=CC=C(C=C1)O>[Phase I]>CC(=O)N=C1C=CC(=O)C=C1 Paracetamol to Acetimidoquinone (NAPQI),NA
1983,Paracetamol,CC(=O)NC1=CC=C(C=C1)O,Phase II,83939,Paracetamol-sulfate,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1=CC=C(C=C1)O>[Phase II]>CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)O Paracetamol to Paracetamol-sulfate,NA
1983,Paracetamol,CC(=O)NC1=CC=C(C=C1)O,Phase II,83944,Paracetamol-glucuronide,CC(=O)NC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1=CC=C(C=C1)O>[Phase II]>CC(=O)NC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O Paracetamol to Paracetamol-glucuronide,NA
1983,Paracetamol,CC(=O)NC1=CC=C(C=C1)O,Phase II,6453578,Paracetamol cysteine,CC(=O)NC1=CC=C(C=C1)OC(=O)[C@H](CS)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)NC1=CC=C(C=C1)O>[Phase II]>CC(=O)NC1=CC=C(C=C1)OC(=O)[C@H](CS)N Paracetamol to Paracetamol cysteine,NA
43815,Paroxetine,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,Phase I,163876,Paroxetine metabolite M-II,COC1=C(C=CC(=C1)OC[C@@H]2CNCC[C@H]2C3=CC=C(C=C3)F)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4>[Phase I]>COC1=C(C=CC(=C1)OC[C@@H]2CNCC[C@H]2C3=CC=C(C=C3)F)O Paroxetine to Paroxetine metabolite M-II,NA
43815,Paroxetine,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,Phase I,9855829,Paroxetine metabolite M-III,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4>[Phase I]>C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)CO Paroxetine to Paroxetine metabolite M-III,NA
43815,Paroxetine,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,Phase I,46781621,Paroxetine metabolite M-I,COC1=C(C=C(C=C1)OC[C@@H]2CNCC[C@H]2C3=CC=C(C=C3)F)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4>[Phase I]>COC1=C(C=C(C=C1)OC[C@@H]2CNCC[C@H]2C3=CC=C(C=C3)F)O Paroxetine to Paroxetine metabolite M-I,NA
43815,Paroxetine,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,Phase I,59215182,Paroxetine catechol,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC(=C(C=C3)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4>[Phase I]>C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC(=C(C=C3)O)O Paroxetine to Paroxetine catechol,NA
43815,Paroxetine,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,Phase I + II,118753144,Paroxetine metabolite M-II-sulfate,FC(C=C1)=CC=C1[C@H]2[C@H](COC3=CC(OC)=C(OS(=O)(O)=O)C=C3)CNCC2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4>[Phase I + II]>FC(C=C1)=CC=C1[C@H]2[C@H](COC3=CC(OC)=C(OS(=O)(O)=O)C=C3)CNCC2 Paroxetine to Paroxetine metabolite M-II-sulfate,NA
43815,Paroxetine,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,Phase I + II,169501951,Paroxetine metabolite M-III-sulfate,FC(C=C1)=CC=C1[C@H]2[C@H](COS(O)(=O)=O)CNCC2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Strolin Benedetti et al., Drug Metab. Rev., 41(3), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4>[Phase I + II]>FC(C=C1)=CC=C1[C@H]2[C@H](COS(O)(=O)=O)CNCC2 Paroxetine to Paroxetine metabolite M-III-sulfate,NA
43815,Paroxetine,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,Phase I + II,169501965,Paroxetine metabolite M-I-glucuronide,FC(C=C1)=CC=C1[C@H]2[C@H](COC3=CC(OC4C(O)C(O)C(O)C(C(O)=O)O4)=C(OC)C=C3)CNCC2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4>[Phase I + II]>FC(C=C1)=CC=C1[C@H]2[C@H](COC3=CC(OC4C(O)C(O)C(O)C(C(O)=O)O4)=C(OC)C=C3)CNCC2 Paroxetine to Paroxetine metabolite M-I-glucuronide,NA
43815,Paroxetine,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,Phase I + II,169502031,Paroxetine metabolite M-I-sulfate,FC(C=C1)=CC=C1[C@H]2[C@H](COC3=CC(OS(O)(=O)=O)=C(OC)C=C3)CNCC2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4>[Phase I + II]>FC(C=C1)=CC=C1[C@H]2[C@H](COC3=CC(OS(O)(=O)=O)=C(OC)C=C3)CNCC2 Paroxetine to Paroxetine metabolite M-I-sulfate,NA
43815,Paroxetine,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,Phase I + II,169502139,Paroxetine metabolite M-III-glucuronide,FC(C=C1)=CC=C1[C@H]2[C@H](COC3C(C(C(C(O3)C(O)=O)O)O)O)CNCC2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Strolin Benedetti et al., Drug Metab. Rev., 41(3), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4>[Phase I + II]>FC(C=C1)=CC=C1[C@H]2[C@H](COC3C(C(C(C(O3)C(O)=O)O)O)O)CNCC2 Paroxetine to Paroxetine metabolite M-III-glucuronide,NA
43815,Paroxetine,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,Phase I + II,169502184,Paroxetine metabolite M-II-glucuronide,FC(C=C1)=CC=C1[C@H]2[C@H](COC3=CC(OC)=C(OC4OC(C(O)=O)C(O)C(O)C4O)C=C3)CNCC2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4>[Phase I + II]>FC(C=C1)=CC=C1[C@H]2[C@H](COC3=CC(OC)=C(OC4OC(C(O)=O)C(O)C(O)C4O)C=C3)CNCC2 Paroxetine to Paroxetine metabolite M-II-glucuronide,NA
5904,Penicillin G,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C,Phase I,11082,6-Aminopenicillanic acid,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C>[Phase I]>CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C Penicillin G to 6-Aminopenicillanic acid,NA
5904,Penicillin G,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C,Phase I,98994,Penicilloic acid,CC1(C(NC(S1)C(C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C>[Phase I]>CC1(C(NC(S1)C(C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)C Penicillin G to Penicilloic acid,NA
6869,Penicillin V,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C,Phase I,11082,6-Aminopenicillanic acid,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C>[Phase I]>CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C Penicillin V to 6-Aminopenicillanic acid,NA
6869,Penicillin V,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C,Phase I,167942,p-Hydroxypenicillin V,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=C(C=C3)O)C(=O)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C>[Phase I]>CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=C(C=C3)O)C(=O)O)C Penicillin V to p-Hydroxypenicillin V,NA
6869,Penicillin V,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C,Phase I,120720,p-Hydroxypenicillin G,CC1(C)[C@H](C(O)=O)N2[C@@H]([C@H](NC(CC3=CC=C(O)C=C3)=O)C2=O)S1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C>[Phase I]>CC1(C)[C@H](C(O)=O)N2[C@@H]([C@H](NC(CC3=CC=C(O)C=C3)=O)C2=O)S1 Penicillin V to p-Hydroxypenicillin G,NA
6869,Penicillin V,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C,Phase I,98994,Penicilloic acid,CC1(C(NC(S1)C(C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C>[Phase I]>CC1(C(NC(S1)C(C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)C Penicillin V to Penicilloic acid,NA
4740,Pentoxifylline,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,Phase I,154700141,Pentoxifylline internal diol (M3),C[C@H](C(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C>[Phase I]>C[C@H](C(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)O Pentoxifylline to Pentoxifylline internal diol (M3),NA
4740,Pentoxifylline,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,Phase I,154733528,Pentoxifylline external diol (M2),CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC[C@@H](CO)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C>[Phase I]>CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC[C@@H](CO)O Pentoxifylline to Pentoxifylline external diol (M2),NA
4740,Pentoxifylline,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,Phase I,151419,Pentoxifylline C-4 carboxylic acid (M5),CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C>[Phase I]>CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(=O)O Pentoxifylline to Pentoxifylline C-4 carboxylic acid (M5),NA
4740,Pentoxifylline,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,Phase I,3082496,Pentoxifylline C-5 carboxylic acid (M4),CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C>[Phase I]>CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)O Pentoxifylline to Pentoxifylline C-5 carboxylic acid (M4),NA
4740,Pentoxifylline,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,Phase I,53689847,7-Demethylated M1 pentoxifylline (M7),C[C@H](CCCCN1C(=O)C2=C(N=CN2)N(C1=O)C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C>[Phase I]>C[C@H](CCCCN1C(=O)C2=C(N=CN2)N(C1=O)C)O Pentoxifylline to 7-Demethylated M1 pentoxifylline (M7),NA
4740,Pentoxifylline,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,Phase I,15023898,7-Demethylated pentoxifylline (M6),CC(=O)CCCCN1C(=O)C2=C(N=CN2)N(C1=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C>[Phase I]>CC(=O)CCCCN1C(=O)C2=C(N=CN2)N(C1=O)C Pentoxifylline to 7-Demethylated pentoxifylline (M6),NA
4740,Pentoxifylline,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,Phase I,57782,(S)-M1 Pentoxifylline metabolite,CC(O)CCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C>[Phase I]>CC(O)CCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O Pentoxifylline to (S)-M1 Pentoxifylline metabolite,NA
4740,Pentoxifylline,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,Phase I,501254,Lisofylline,C[C@H](CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C>[Phase I]>C[C@H](CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O Pentoxifylline to Lisofylline,NA
107807,Perindopril,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,Phase I,72022,Perindoprilat,CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O>[Phase I]>CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O Perindopril to Perindoprilat,NA
107807,Perindopril,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,Phase I + II,179962,Perindoprilat-glucuronide,CCC(C(=O)O)NC(C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)C)O)O)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O>[Phase I + II]>CCC(C(=O)O)NC(C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)C)O)O)O)C(=O)O Perindopril to Perindoprilat-glucuronide,NA
107807,Perindopril,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,Phase II,45040207,Perindopril-acyl-β-D-glucuronide,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2CC1C(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O>[Phase II]>CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2CC1C(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O Perindopril to Perindopril-acyl-β-D-glucuronide,NA
107807,Perindopril,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,Phase I,57703964,Perindopril lactam/Perindopril diketopiperazine,[H][C@]12[C@](N(C([C@H](C)N([C@@H](CCC)C(OCC)=O)C3=O)=O)[C@@]3([H])C2)([H])CCCC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O>[Phase I]>[H][C@]12[C@](N(C([C@H](C)N([C@@H](CCC)C(OCC)=O)C3=O)=O)[C@@]3([H])C2)([H])CCCC1 Perindopril to Perindopril lactam/Perindopril diketopiperazine,NA
107807,Perindopril,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,Phase I,59253360,Perindoprilat lactam B,CCC[C@@H](C(=O)O)N1[C@H](C(=O)N2[C@H]3CCCC[C@H]3C[C@@H]2C1=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O>[Phase I]>CCC[C@@H](C(=O)O)N1[C@H](C(=O)N2[C@H]3CCCC[C@H]3C[C@@H]2C1=O)C Perindopril to Perindoprilat lactam B,NA
107807,Perindopril,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,Phase I,68524696,Perindoprilat lactam A,CCC[C@@H](C(=O)O)N1[C@H](C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C1=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O>[Phase I]>CCC[C@@H](C(=O)O)N1[C@H](C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C1=O)C Perindopril to Perindoprilat lactam A,NA
4761,Pheniramine,CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2,Phase I,161284,N-Didesmethylpheniramine,C1=CC=C(C=C1)C(CCN)C2=CC=CC=N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2>[Phase I]>C1=CC=C(C=C1)C(CCN)C2=CC=CC=N2 Pheniramine to N-Didesmethylpheniramine,NA
4761,Pheniramine,CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2,Phase I,161283,N-Desmethylpheniramine,CNCCC(C1=CC=CC=C1)C2=CC=CC=N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2>[Phase I]>CNCCC(C1=CC=CC=C1)C2=CC=CC=N2 Pheniramine to N-Desmethylpheniramine,NA
4761,Pheniramine,CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2,Phase I,222605,Pheniramine-N-oxide,C[N+](C)(CCC(C1=CC=CC=C1)C2=CC=CC=N2)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2>[Phase I]>C[N+](C)(CCC(C1=CC=CC=C1)C2=CC=CC=N2)[O-] Pheniramine to Pheniramine-N-oxide,NA
4761,Pheniramine,CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2,Phase I,133052758,Norpheniramine formamide,CN(CCC(C1=CC=CC=C1)C2=CC=CC=N2)C=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2>[Phase I]>CN(CCC(C1=CC=CC=C1)C2=CC=CC=N2)C=O Pheniramine to Norpheniramine formamide,NA
4763,Phenobarbital,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,Phase I,9785,p-Hydroxyphenobarbital,CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2>[Phase I]>CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)O Phenobarbital to p-Hydroxyphenobarbital,NA
4763,Phenobarbital,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,Phase I + II,71371485,Phenobarbital-O-sulfate,CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)OS(=O)(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2>[Phase I + II]>CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)OS(=O)(=O)O Phenobarbital to Phenobarbital-O-sulfate,NA
4763,Phenobarbital,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,Phase I,122197277,Dihydrodihydroxy-phenobarbital,CCC1(C(C=C2)=CC(O)C2O)C(NC(NC1=O)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Eady et al., Neupsy Key, 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2>[Phase I]>CCC1(C(C=C2)=CC(O)C2O)C(NC(NC1=O)=O)=O Phenobarbital to Dihydrodihydroxy-phenobarbital,NA
4763,Phenobarbital,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,Phase I + II,154699932,Phenobarbital-O-glucuronide,CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2>[Phase I + II]>CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O Phenobarbital to Phenobarbital-O-glucuronide,NA
4763,Phenobarbital,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,Phase II,169502082,Phenobarbitone-N-glucoside,CCC1(C2=CC=CC=C2)C(NC(N(C3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O3)C1=O)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Eady et al., Neupsy Key, 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2>[Phase II]>CCC1(C2=CC=CC=C2)C(NC(N(C3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O3)C1=O)=O)=O Phenobarbital to Phenobarbitone-N-glucoside,NA
4763,Phenobarbital,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,Phase I + II,169502274,Barbiturate ring-opened derivatives of phenobarbitone-N-glucoside,CCC(C(O)=O)(C1=CC=CC=C1)C(NC(NC2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Eady et al., Neupsy Key, 2016",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2>[Phase I + II]>CCC(C(O)=O)(C1=CC=CC=C1)C(NC(NC2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)=O)=O Phenobarbital to Barbiturate ring-opened derivatives of phenobarbitone-N-glucoside,NA
4764,Phenolphthalein,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,Phase II,78122568,Phenolphthalein-diglucuronide,O=C1C2=CC=CC=C2C(C3=CC=C(C=C3)OC4C(C(O)C(O)C(C(O)=O)O4)O)(O1)C5=CC=C(C=C5)OC6C(C(O)C(O)C(C(O)=O)O6)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Griffin et al., Toxicol. Sci., 42(2), 1998",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O>[Phase II]>O=C1C2=CC=CC=C2C(C3=CC=C(C=C3)OC4C(C(O)C(O)C(C(O)=O)O4)O)(O1)C5=CC=C(C=C5)OC6C(C(O)C(O)C(C(O)=O)O6)O Phenolphthalein to Phenolphthalein-diglucuronide,NA
4764,Phenolphthalein,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,Phase II,18408177,Phenolphthalein-sulfate,O=C1C2=CC=CC=C2C(C3=CC=C(C=C3)OS(O)(=O)=O)(O1)C4=CC=C(C=C4)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Griffin et al., Toxicol. Sci., 42(2), 1998",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O>[Phase II]>O=C1C2=CC=CC=C2C(C3=CC=C(C=C3)OS(O)(=O)=O)(O1)C4=CC=C(C=C4)O Phenolphthalein to Phenolphthalein-sulfate,NA
4764,Phenolphthalein,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,Phase II,258536,Phenolphthalein-glucuronide,O=C1C2=CC=CC=C2C(C3=CC=C(C=C3)O)(O1)C4=CC=C(C=C4)OC5C(C(O)C(O)C(C(O)=O)O5)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Griffin et al., Toxicol. Sci., 42(2), 1998",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O>[Phase II]>O=C1C2=CC=CC=C2C(C3=CC=C(C=C3)O)(O1)C4=CC=C(C=C4)OC5C(C(O)C(O)C(C(O)=O)O5)O Phenolphthalein to Phenolphthalein-glucuronide,NA
4764,Phenolphthalein,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,Phase I,20357939,Hydroxyphenolphthalein (PT-CAT),O=C1C2=CC=CC=C2C(C3=CC=C(O)C(O)=C3)(C4=CC=C(O)C=C4)O1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Garner et al., Toxicol. Appl. Pharmacol. 162(2), 2000",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O>[Phase I]>O=C1C2=CC=CC=C2C(C3=CC=C(O)C(O)=C3)(C4=CC=C(O)C=C4)O1 Phenolphthalein to Hydroxyphenolphthalein (PT-CAT),NA
6041,Phenylephrine,CNC[C@@H](C1=CC(=CC=C1)O)O,Phase I,328,p-Hydroxymandelic acid (PHMA),C1=CC(=CC=C1C(C(=O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNC[C@@H](C1=CC(=CC=C1)O)O>[Phase I]>C1=CC(=CC=C1C(C(=O)O)O)O Phenylephrine to p-Hydroxymandelic acid (PHMA),NA
6041,Phenylephrine,CNC[C@@H](C1=CC(=CC=C1)O)O,Phase I,161263,o-Hydroxymandelic acid (OHMA),O=C(O)C(O)C1=CC=CC=C1O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNC[C@@H](C1=CC(=CC=C1)O)O>[Phase I]>O=C(O)C(O)C1=CC=CC=C1O Phenylephrine to o-Hydroxymandelic acid (OHMA),NA
6041,Phenylephrine,CNC[C@@H](C1=CC(=CC=C1)O)O,Phase I,13358352,m-hydroxymandelic acid (MHMA),C1=CC(=CC(=C1)O)[C@H](C(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNC[C@@H](C1=CC(=CC=C1)O)O>[Phase I]>C1=CC(=CC(=C1)O)[C@H](C(=O)O)O Phenylephrine to m-hydroxymandelic acid (MHMA),NA
6041,Phenylephrine,CNC[C@@H](C1=CC(=CC=C1)O)O,Phase II,29986392,Phenylephrine-2-O-glucuronide,CNC[C@@H](C1=CC(=CC=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNC[C@@H](C1=CC(=CC=C1)O)O>[Phase II]>CNC[C@@H](C1=CC(=CC=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O Phenylephrine to Phenylephrine-2-O-glucuronide,NA
6041,Phenylephrine,CNC[C@@H](C1=CC(=CC=C1)O)O,Phase II,71751611,Phenylephrine-3-O-glucuronide,CNC[C@H](O)C1=CC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hariharan, FDA approval document of phenylephrine, 203826Orig1s000, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNC[C@@H](C1=CC(=CC=C1)O)O>[Phase II]>CNC[C@H](O)C1=CC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)=CC=C1 Phenylephrine to Phenylephrine-3-O-glucuronide,NA
6041,Phenylephrine,CNC[C@@H](C1=CC(=CC=C1)O)O,Phase II,90327798,Phenylephrine-3-O-sulfate,CNC[C@@H](C1=CC(=CC=C1)OS(=O)(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNC[C@@H](C1=CC(=CC=C1)O)O>[Phase II]>CNC[C@@H](C1=CC(=CC=C1)OS(=O)(=O)O)O Phenylephrine to Phenylephrine-3-O-sulfate,NA
6041,Phenylephrine,CNC[C@@H](C1=CC(=CC=C1)O)O,Phase I,90437598,3-Hydroxyphenylglycol,OC[C@H](O)C1=CC(O)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hariharan, FDA approval document of phenylephrine, 203826Orig1s000, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNC[C@@H](C1=CC(=CC=C1)O)O>[Phase I]>OC[C@H](O)C1=CC(O)=CC=C1 Phenylephrine to 3-Hydroxyphenylglycol,NA
6041,Phenylephrine,CNC[C@@H](C1=CC(=CC=C1)O)O,Phase I + II,90437844,Phenylglycol-3-O-sulfate,OC[C@H](O)C1=CC(OS(=O)(O)=O)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Hariharan, FDA approval document of phenylephrine, 203826Orig1s000, 2012",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CNC[C@@H](C1=CC(=CC=C1)O)O>[Phase I + II]>OC[C@H](O)C1=CC(OS(=O)(O)=O)=CC=C1 Phenylephrine to Phenylglycol-3-O-sulfate,NA
1775,Phenytoin,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,Phase I + II,91667680,4-Hydroxyphenytoin-O-glucuronide,C1=CC=C(C=C1)[C@@]2(C(=O)NC(=O)N2)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3>[Phase I + II]>C1=CC=C(C=C1)[C@@]2(C(=O)NC(=O)N2)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O Phenytoin to 4-Hydroxyphenytoin-O-glucuronide,NA
1775,Phenytoin,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,Phase I,152954,Phenytoin dihydrodiol,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC(C(C=C3)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3>[Phase I]>C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC(C(C=C3)O)O Phenytoin to Phenytoin dihydrodiol,NA
1775,Phenytoin,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,Phase I,101592230,Phenytoin arene-oxide,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC4C(O4)C=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3>[Phase I]>C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC4C(O4)C=C3 Phenytoin to Phenytoin arene-oxide,NA
1775,Phenytoin,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,Phase I,131769980,Phenytoin quinone,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC(=O)C(=O)C=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3>[Phase I]>C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC(=O)C(=O)C=C3 Phenytoin to Phenytoin quinone,NA
1775,Phenytoin,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,Phase I,169703,Phenytoin catechol,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC(=C(C=C3)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3>[Phase I]>C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC(=C(C=C3)O)O Phenytoin to Phenytoin catechol,NA
1775,Phenytoin,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,Phase I,131769979,Phenytoin methylcatechol,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC(=C(C=C3)O)C=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3>[Phase I]>C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC(=C(C=C3)O)C=O Phenytoin to Phenytoin methylcatechol,NA
1775,Phenytoin,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,Phase I,91597,3-Hydroxyphenytoin,OC1=NC(C2=CC=CC=C2)(C3=CC(O)=CC=C3)C(O)=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3>[Phase I]>OC1=NC(C2=CC=CC=C2)(C3=CC(O)=CC=C3)C(O)=N1 Phenytoin to 3-Hydroxyphenytoin,NA
1775,Phenytoin,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,Phase I,17732,4-Hydroxyphenytoin,OC1=NC(C(O)=N1)(C1=CC=CC=C1)C1=CC=C(O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3>[Phase I]>OC1=NC(C(O)=N1)(C1=CC=CC=C1)C1=CC=C(O)C=C1 Phenytoin to 4-Hydroxyphenytoin,NA
4830,Pipamperone,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N,Phase I,85598607,Pipamperone metabolite M-VI,O=C(N)C1(CCNCC1)N2CCC=CC2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Köppel et al., J. Chromatogr. B, 491, 1989",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N>[Phase I]>O=C(N)C1(CCNCC1)N2CCC=CC2 Pipamperone to Pipamperone metabolite M-VI,NA
4830,Pipamperone,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N,Phase I,169501843,Pipamperone metabolite M-IV,O=C(C1=CC=C(F)C=C1)CCCN(CC2)CCC2(C(N)=O)N3CCC(O)CC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Köppel et al., J. Chromatogr. B, 491, 1989",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N>[Phase I]>O=C(C1=CC=C(F)C=C1)CCCN(CC2)CCC2(C(N)=O)N3CCC(O)CC3 Pipamperone to Pipamperone metabolite M-IV,NA
4830,Pipamperone,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N,Phase I,169501855,Pipamperone metabolite M-II,OC(C1=CC=C(F)C=C1)CCCN(CC2)CCC2(C(N)=O)N3CCCCC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Köppel et al., J. Chromatogr. B, 491, 1989",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N>[Phase I]>OC(C1=CC=C(F)C=C1)CCCN(CC2)CCC2(C(N)=O)N3CCCCC3 Pipamperone to Pipamperone metabolite M-II,NA
4830,Pipamperone,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N,Phase I,169501814,Pipamperone metabolite M-IX,FC(C=C1)=CC=C1/C=C/CCN(CC2)CCC2(C(N)=O)N3CCC(OC(C)=O)CC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Köppel et al., J. Chromatogr. B, 491, 1989",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N>[Phase I]>FC(C=C1)=CC=C1/C=C/CCN(CC2)CCC2(C(N)=O)N3CCC(OC(C)=O)CC3 Pipamperone to Pipamperone metabolite M-IX,NA
4830,Pipamperone,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N,Phase I,169501837,Pipamperone metabolite M-III,O=C(C1=CC=C(F)C=C1)CCCN(CC2)CCC2(C(N)=O)N3CCC=CC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Köppel et al., J. Chromatogr. B, 491, 1989",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N>[Phase I]>O=C(C1=CC=C(F)C=C1)CCCN(CC2)CCC2(C(N)=O)N3CCC=CC3 Pipamperone to Pipamperone metabolite M-III,NA
4830,Pipamperone,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N,Phase I,169501973,Pipamperone metabolite M-VIII,FC(C=C1)=CC=C1/C=C/CCN(CC2)CCC2(C(N)=O)N3CCCCC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Köppel et al., J. Chromatogr. B, 491, 1989",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N>[Phase I]>FC(C=C1)=CC=C1/C=C/CCN(CC2)CCC2(C(N)=O)N3CCCCC3 Pipamperone to Pipamperone metabolite M-VIII,NA
4830,Pipamperone,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N,Phase I,21560001,Pipamperone metabolite M-XIV,O=C(C1=CC=C(F)C=C1)CCCN(CC2)CCC2N3CCCCC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Köppel et al., J. Chromatogr. B, 491, 1989",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N>[Phase I]>O=C(C1=CC=C(F)C=C1)CCCN(CC2)CCC2N3CCCCC3 Pipamperone to Pipamperone metabolite M-XIV,NA
4830,Pipamperone,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N,Phase I,16792226,Pipamperone metabolite M-XIII,FC(C=C1)=CC=C1CC(NCC(O)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Köppel et al., J. Chromatogr. B, 491, 1989",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N>[Phase I]>FC(C=C1)=CC=C1CC(NCC(O)=O)=O Pipamperone to Pipamperone metabolite M-XIII,NA
4830,Pipamperone,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N,Phase I,14069333,Pipamperone metabolite M-V,O=C(C1=CC=C(F)C=C1)CCC=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Köppel et al., J. Chromatogr. B, 491, 1989",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N>[Phase I]>O=C(C1=CC=C(F)C=C1)CCC=O Pipamperone to Pipamperone metabolite M-V,NA
4830,Pipamperone,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N,Phase I,101359,Pipamperone metabolite M-XI,FC(C=C1)=CC=C1C(CCC(O)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Köppel et al., J. Chromatogr. B, 491, 1989",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N>[Phase I]>FC(C=C1)=CC=C1C(CCC(O)=O)=O Pipamperone to Pipamperone metabolite M-XI,NA
4830,Pipamperone,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N,Phase I,9828,Pipamperone metabolite M-X,CC(C1=CC=C(F)C=C1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Köppel et al., J. Chromatogr. B, 491, 1989",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N>[Phase I]>CC(C1=CC=C(F)C=C1)=O Pipamperone to Pipamperone metabolite M-X,NA
4830,Pipamperone,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N,Phase I,9837,Pipamperone metabolite M-XII,FC(C=C1)=CC=C1CC(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Köppel et al., J. Chromatogr. B, 491, 1989",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N>[Phase I]>FC(C=C1)=CC=C1CC(O)=O Pipamperone to Pipamperone metabolite M-XII,NA
4830,Pipamperone,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N,Phase I,54594333,Pipamperone metabolite M-VII,C=CCC(C1=CC=C(F)C=C1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Köppel et al., J. Chromatogr. B, 491, 1989",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N>[Phase I]>C=CCC(C1=CC=C(F)C=C1)=O Pipamperone to Pipamperone metabolite M-VII,NA
43672,Piperacillin,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,Phase I,10051220,Desethylpiperacillin,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCNC(=O)C4=O)C(=O)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wyeth Pharmaceuticals Inc., FDA approval document of Zosyn, 2007",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O>[Phase I]>CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCNC(=O)C4=O)C(=O)O)C Piperacillin to Desethylpiperacillin,NA
43672,Piperacillin,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,Phase I,54669584,Piperacillin lactam cleavage metabolite,CCN1CCN(C(N[C@@H](C(N[C@H](C(O)=O)[C@@H]2N[C@@H](C(O)=O)C(C)(C)S2)=O)C3=CC=CC=C3)=O)C(C1=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wyeth Pharmaceuticals Inc., FDA approval document of Zosyn, 2007",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O>[Phase I]>CCN1CCN(C(N[C@@H](C(N[C@H](C(O)=O)[C@@H]2N[C@@H](C(O)=O)C(C)(C)S2)=O)C3=CC=CC=C3)=O)C(C1=O)=O Piperacillin to Piperacillin lactam cleavage metabolite,NA
54687,Pravastatin,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,Phase I + II,169501928,3'(S)-Hydroxy-pravastatin-tetranor-glucuronide,[H][C@]12[C@H](C[C@H](OC3OC(C(O)C(O)C3O)C(O)=O)C=C1C=C[C@H](C)[C@@H]2CCC(O)O)OC(=O)[C@@H](C)C(C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O>[Phase I + II]>[H][C@]12[C@H](C[C@H](OC3OC(C(O)C(O)C3O)C(O)=O)C=C1C=C[C@H](C)[C@@H]2CCC(O)O)OC(=O)[C@@H](C)C(C)O Pravastatin to 3'(S)-Hydroxy-pravastatin-tetranor-glucuronide,NA
54687,Pravastatin,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,Phase II,169502064,Pravastatin-glucuronide,[H][C@]12[C@H](C[C@H](OC3OC(C(O)C(O)C3O)C(O)=O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O>[Phase II]>[H][C@]12[C@H](C[C@H](OC3OC(C(O)C(O)C3O)C(O)=O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC Pravastatin to Pravastatin-glucuronide,NA
54687,Pravastatin,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,Phase I,63012,Triol-pravastatin,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C(C2[C@H]1[C@H]([C@H](C(=C2)O)C)CC[C@H](C[C@H](CC(=O)O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O>[Phase I]>CC[C@H](C)C(=O)O[C@H]1C[C@@H](C(C2[C@H]1[C@H]([C@H](C(=C2)O)C)CC[C@H](C[C@H](CC(=O)O)O)O)O)O Pravastatin to Triol-pravastatin,NA
54687,Pravastatin,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,Phase I,139033201,3'(S)-Hydroxypravastatin,C[C@H]1C=CC2=C[C@H](C[C@@H]([C@@H]2[C@H]1CC[C@H](C[C@H](CC(=O)O)O)O)OC(=O)[C@@H](C)C(C)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O>[Phase I]>C[C@H]1C=CC2=C[C@H](C[C@@H]([C@@H]2[C@H]1CC[C@H](C[C@H](CC(=O)O)O)O)OC(=O)[C@@H](C)C(C)O)O Pravastatin to 3'(S)-Hydroxypravastatin,NA
54687,Pravastatin,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,Phase I,169502182,"3-Keto-5,6-diol pravastatin",[H][C@]12[C@H](C[C@H](O)C(O)C1=CC(=O)[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O>[Phase I]>[H][C@]12[C@H](C[C@H](O)C(O)C1=CC(=O)[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC Pravastatin to 3-Keto-5,6-diol pravastatin",NA
54687,Pravastatin,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,Phase I,169502137,3'(S)-Hydroxy-pravastatin-tetranor,[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CCC(O)O)OC(=O)[C@@H](C)C(C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O>[Phase I]>[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CCC(O)O)OC(=O)[C@@H](C)C(C)O Pravastatin to 3'(S)-Hydroxy-pravastatin-tetranor,NA
54687,Pravastatin,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,Phase I,169502062,7-Hydroxy-3-α-isopravastatin,[H][C@@]12[C@@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H](C)C(O)=CC1=CCC(O)[C@@H]2OC(=O)[C@@H](C)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O>[Phase I]>[H][C@@]12[C@@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H](C)C(O)=CC1=CCC(O)[C@@H]2OC(=O)[C@@H](C)CC Pravastatin to 7-Hydroxy-3-α-isopravastatin,NA
54687,Pravastatin,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,Phase I,169502247,"5,6-Epoxy-3-α-isopravastatin",[H][C@]12[C@H](CC3OC3C1C=C(O)[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O>[Phase I]>[H][C@]12[C@H](CC3OC3C1C=C(O)[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC Pravastatin to 5,6-Epoxy-3-α-isopravastatin",NA
54687,Pravastatin,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,Phase I,10071008,6-Epi-pravastatin,[H][C@]12[C@H](C[C@@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O>[Phase I]>[H][C@]12[C@H](C[C@@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC Pravastatin to 6-Epi-pravastatin,NA
54687,Pravastatin,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,Phase I,58746970,Desacyldehydropravastatin,C[C@H]1C=CC2=C([C@H]1CC[C@H](C[C@H](CC(=O)O)O)O)C=CC(=C2)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O>[Phase I]>C[C@H]1C=CC2=C([C@H]1CC[C@H](C[C@H](CC(=O)O)O)O)C=CC(=C2)O Pravastatin to Desacyldehydropravastatin,NA
54687,Pravastatin,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,Phase I,42630640,3-α-Isopravastatin,[H][C@]12[C@H](CCC=C1C=C(O)[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O>[Phase I]>[H][C@]12[C@H](CCC=C1C=C(O)[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC Pravastatin to 3-α-Isopravastatin,NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,156621396,"6β,11β,17α,20β,21-Pentahydroxy-5ξ-pregn-1-en-3-one (M-XV)",[H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2CC(=O)C=C[C@]12C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>[H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2CC(=O)C=C[C@]12C Prednisolone to 6β,11β,17α,20β,21-Pentahydroxy-5ξ-pregn-1-en-3-one (M-XV)",NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,156621397,"6β,11β,17α,20α,21-Pentahydroxy-5ξ-pregn-1-en-3-one (M-XVI)",[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2CC(=O)C=C[C@]12C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2CC(=O)C=C[C@]12C Prednisolone to 6β,11β,17α,20α,21-Pentahydroxy-5ξ-pregn-1-en-3-one (M-XVI)",NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,101913095,"6α,11β,17α,20β,21-Pentahydroxypregnan-1,4-diene-3-one (M-X)",C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)C[C@@H](C4=CC(=O)C=C[C@]34C)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)C[C@@H](C4=CC(=O)C=C[C@]34C)O)O Prednisolone to 6α,11β,17α,20β,21-Pentahydroxypregnan-1,4-diene-3-one (M-X)",NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,156621394,"6β,11β,17α,20α,21-Pentahydroxypregnan-1,4-diene-3-one (M-IX)",[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C Prednisolone to 6β,11β,17α,20α,21-Pentahydroxypregnan-1,4-diene-3-one (M-IX)",NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,156621404,"6β,11β,17α,20β,21-Pentahydroxypregnan-1,4-diene-3-one (M-VIII)",[H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>[H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C Prednisolone to 6β,11β,17α,20β,21-Pentahydroxypregnan-1,4-diene-3-one (M-VIII)",NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,101913092,"6β,11β,17α,21-Tetrahydroxy-5ξ-pregn-1-en-3,20-dione (M-XIV)",[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2CC(=O)C=C[C@]12C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2CC(=O)C=C[C@]12C Prednisolone to 6β,11β,17α,21-Tetrahydroxy-5ξ-pregn-1-en-3,20-dione (M-XIV)",NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,14726612,6β-Hydroxyprednisolone (M-VI),C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@H](C4=CC(=O)C=C[C@]34C)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@H](C4=CC(=O)C=C[C@]34C)O)O Prednisolone to 6β-Hydroxyprednisolone (M-VI),NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,101913091,6α-Hydroxyprednisolone (M-VII),C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@]34C)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@]34C)O)O Prednisolone to 6α-Hydroxyprednisolone (M-VII),NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,101913093,6β-Hydroxyprednisone (M-XII),C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@H](C4=CC(=O)C=C[C@]34C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@H](C4=CC(=O)C=C[C@]34C)O Prednisolone to 6β-Hydroxyprednisone (M-XII),NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,101913096,6α-Hydroxyprednisone (M-XIII),C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@]34C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@]34C)O Prednisolone to 6α-Hydroxyprednisone (M-XIII),NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,13962390,20α-Dihydro-prednisolone (M-III),C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O Prednisolone to 20α-Dihydro-prednisolone (M-III),NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,13962391,20β-Dihydro-prednisolone (M-II),C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O Prednisolone to 20β-Dihydro-prednisolone (M-II),NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,224451,Δ6-Prednisolone (M-XI),C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=CC4=CC(=O)C=C[C@]34C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=CC4=CC(=O)C=C[C@]34C)O Prednisolone to Δ6-Prednisolone (M-XI),NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,14475047,20β-Dihydro-prednisone (M-IV),C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C Prednisolone to 20β-Dihydro-prednisone (M-IV),NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,71749279,20α-Dihydro-prednisone (M-V),C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2([C@@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2([C@@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C Prednisolone to 20α-Dihydro-prednisone (M-V),NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,101913094,"17α,20ξ,21-Trihydroxy-5ξ-pregn-1-en-3,11-dione(M-XVIII)",C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(CO)O)O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(CO)O)O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C Prednisolone to 17α,20ξ,21-Trihydroxy-5ξ-pregn-1-en-3,11-dione(M-XVIII)",NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,22793136,"17α,21-Dihydroxy-pregnan-1,4,6-trien-3,11,30-trione (M-XVII)",C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=CC4=CC(=O)C=C[C@]34C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=CC4=CC(=O)C=C[C@]34C Prednisolone to 17α,21-Dihydroxy-pregnan-1,4,6-trien-3,11,30-trione (M-XVII)",NA
5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,Phase I,5865,PREDNISONE,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O>[Phase I]>C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C Prednisolone to PREDNISONE,NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,156621396,"6β,11β,17α,20β,21-Pentahydroxy-5ξ-pregn-1-en-3-one (M-XV)",[H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2CC(=O)C=C[C@]12C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>[H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2CC(=O)C=C[C@]12C Prednisone to 6β,11β,17α,20β,21-Pentahydroxy-5ξ-pregn-1-en-3-one (M-XV)",NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,156621397,"6β,11β,17α,20α,21-Pentahydroxy-5ξ-pregn-1-en-3-one (M-XVI)",[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2CC(=O)C=C[C@]12C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2CC(=O)C=C[C@]12C Prednisone to 6β,11β,17α,20α,21-Pentahydroxy-5ξ-pregn-1-en-3-one (M-XVI)",NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,101913095,"6α,11β,17α,20β,21-Pentahydroxypregnan-1,4-diene-3-one (M-X)",C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)C[C@@H](C4=CC(=O)C=C[C@]34C)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)C[C@@H](C4=CC(=O)C=C[C@]34C)O)O Prednisone to 6α,11β,17α,20β,21-Pentahydroxypregnan-1,4-diene-3-one (M-X)",NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,156621394,"6β,11β,17α,20α,21-Pentahydroxypregnan-1,4-diene-3-one (M-IX)",[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C Prednisone to 6β,11β,17α,20α,21-Pentahydroxypregnan-1,4-diene-3-one (M-IX)",NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,156621404,"6β,11β,17α,20β,21-Pentahydroxypregnan-1,4-diene-3-one (M-VIII)",[H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>[H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C Prednisone to 6β,11β,17α,20β,21-Pentahydroxypregnan-1,4-diene-3-one (M-VIII)",NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,101913092,"6β,11β,17α,21-Tetrahydroxy-5ξ-pregn-1-en-3,20-dione (M-XIV)",[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2CC(=O)C=C[C@]12C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2CC(=O)C=C[C@]12C Prednisone to 6β,11β,17α,21-Tetrahydroxy-5ξ-pregn-1-en-3,20-dione (M-XIV)",NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,14726612,6β-Hydroxyprednisolone (M-VI),C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@H](C4=CC(=O)C=C[C@]34C)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@H](C4=CC(=O)C=C[C@]34C)O)O Prednisone to 6β-Hydroxyprednisolone (M-VI),NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,101913091,6α-Hydroxyprednisolone (M-VII),C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@]34C)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@]34C)O)O Prednisone to 6α-Hydroxyprednisolone (M-VII),NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,101913093,6β-Hydroxyprednisone (M-XII),C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@H](C4=CC(=O)C=C[C@]34C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@H](C4=CC(=O)C=C[C@]34C)O Prednisone to 6β-Hydroxyprednisone (M-XII),NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,101913096,6α-Hydroxyprednisone (M-XIII),C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@]34C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@]34C)O Prednisone to 6α-Hydroxyprednisone (M-XIII),NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,13962390,20α-Dihydro-prednisolone (M-III),C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O Prednisone to 20α-Dihydro-prednisolone (M-III),NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,13962391,20β-Dihydro-prednisolone (M-II),C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O Prednisone to 20β-Dihydro-prednisolone (M-II),NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,224451,Δ6-Prednisolone (M-XI),C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=CC4=CC(=O)C=C[C@]34C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=CC4=CC(=O)C=C[C@]34C)O Prednisone to Δ6-Prednisolone (M-XI),NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,14475047,20β-Dihydro-prednisone (M-IV),C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C Prednisone to 20β-Dihydro-prednisone (M-IV),NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,71749279,20α-Dihydro-prednisone (M-V),C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2([C@@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2([C@@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C Prednisone to 20α-Dihydro-prednisone (M-V),NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,101913094,"17α,20ξ,21-Trihydroxy-5ξ-pregn-1-en-3,11-dione(M-XVIII)",C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(CO)O)O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(CO)O)O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C Prednisone to 17α,20ξ,21-Trihydroxy-5ξ-pregn-1-en-3,11-dione(M-XVIII)",NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,5755,Prednisolone,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O Prednisone to Prednisolone,NA
5865,Prednisone,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,Phase I,22793136,"17α,21-Dihydroxy-pregnan-1,4,6-trien-3,11,30-trione (M-XVII)",C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=CC4=CC(=O)C=C[C@]34C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C>[Phase I]>C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=CC4=CC(=O)C=C[C@]34C Prednisone to 17α,21-Dihydroxy-pregnan-1,4,6-trien-3,11,30-trione (M-XVII)",NA
5486971,Pregabalin,CC(C)C[C@@H](CC(=O)O)CN,Phase I,29984341,N-Methylpregabalin,CC(C)C[C@@H](CC(=O)O)CNC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C[C@@H](CC(=O)O)CN>[Phase I]>CC(C)C[C@@H](CC(=O)O)CNC Pregabalin to N-Methylpregabalin,NA
40632,Prifenidone,CC1=CN(C(=O)C=C1)C2=CC=CC=C5,Phase I + II,169502263,Pirfenidone GSH conjugate,O=C(C=C1)N(C2=CC=CC=C2)C=C1CSCC(C(NCC(O)=O)=O)NC(CCC(N)C(O)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Zhou et al., J. Med. Chem., 63(15), 2020",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN(C(=O)C=C1)C2=CC=CC=C5>[Phase I + II]>O=C(C=C1)N(C2=CC=CC=C2)C=C1CSCC(C(NCC(O)=O)=O)NC(CCC(N)C(O)=O)=O Prifenidone to Pirfenidone GSH conjugate,NA
40632,Prifenidone,CC1=CN(C(=O)C=C1)C2=CC=CC=C4,Phase I + II,169502240,Pirfenidone cysteine adduct,O=C(O)C(N)CSCC1=CN(C2=CC=CC=C2)C(C=C1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Zhou et al., J. Med. Chem., 63(15), 2020",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN(C(=O)C=C1)C2=CC=CC=C4>[Phase I + II]>O=C(O)C(N)CSCC1=CN(C2=CC=CC=C2)C(C=C1)=O Prifenidone to Pirfenidone cysteine adduct,NA
40632,Prifenidone,CC1=CN(C(=O)C=C1)C2=CC=CC=C3,Phase I,11988811,5-Hydroxypirfenidone,OCC1=CN(C(=O)C=C1)C1=CC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN(C(=O)C=C1)C2=CC=CC=C3>[Phase I]>OCC1=CN(C(=O)C=C1)C1=CC=CC=C1 Prifenidone to 5-Hydroxypirfenidone,NA
40632,Prifenidone,CC1=CN(C(=O)C=C1)C2=CC=CC=C6,Phase I + II,156012091,Pirfenidone-N-acetylcysteine adduct,O=C(C=C1)N(C2=CC=CC=C2)C=C1CSC[C@@H](C(O)=O)NC(C)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Zhou et al., J. Med. Chem., 63(15), 2020",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN(C(=O)C=C1)C2=CC=CC=C6>[Phase I + II]>O=C(C=C1)N(C2=CC=CC=C2)C=C1CSC[C@@H](C(O)=O)NC(C)=O Prifenidone to Pirfenidone-N-acetylcysteine adduct,NA
40632,Prifenidone,CC1=CN(C(=O)C=C1)C2=CC=CC=C2,Phase I,11988812,5-Carboxypirfenidone,OC(=O)C1=CN(C(=O)C=C1)C1=CC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN(C(=O)C=C1)C2=CC=CC=C2>[Phase I]>OC(=O)C1=CN(C(=O)C=C1)C1=CC=CC=C1 Prifenidone to 5-Carboxypirfenidone,NA
4909,Primidone,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,Phase I,14555916,Hydroxyprimidone,CCC1(C(=O)NC(NC1=O)O)C2=CC=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Lafont et al., Eur. J. Med. Chem., 25(1), 1990",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2>[Phase I]>CCC1(C(=O)NC(NC1=O)O)C2=CC=CC=C2 Primidone to Hydroxyprimidone,NA
4909,Primidone,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,Phase I,23611,Phenylethylmalonamide (PEMA),CCC(C1=CC=CC=C1)(C(=O)N)C(=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2>[Phase I]>CCC(C1=CC=CC=C1)(C(=O)N)C(=O)N Primidone to Phenylethylmalonamide (PEMA),NA
4909,Primidone,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,Phase I,9785,4-Hydroxyphenobarbital,CCC1(C2=CC=C(O)C=C2)C(NC(NC1=O)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Lafont et al., Eur. J. Med. Chem., 25(1), 1990",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2>[Phase I]>CCC1(C2=CC=C(O)C=C2)C(NC(NC1=O)=O)=O Primidone to 4-Hydroxyphenobarbital,NA
4909,Primidone,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,0,4763,Phenobarbital,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2>[0]>CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2 Primidone to Phenobarbital,NA
4909,Primidone,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,Phase I,23269,3-Phenyloxolan-2-one,C1COC(=O)C1C2=CC=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Lafont et al., Eur. J. Med. Chem., 25(1), 1990",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2>[Phase I]>C1COC(=O)C1C2=CC=CC=C2 Primidone to 3-Phenyloxolan-2-one,NA
4923,Proguanil,CC(C)N=C(N)/N=C(\N)/NC1=CC=C(C=C1)Cl,Phase I,9049,Cycloguanil,CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)N=C(N)/N=C(\N)/NC1=CC=C(C=C1)Cl>[Phase I]>CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C Proguanil to Cycloguanil,NA
4923,Proguanil,CC(C)N=C(N)/N=C(\N)/NC1=CC=C(C=C1)Cl,Phase I,19933,4-Chlorophenylbiguanide,C1=CC(=CC=C1N=C(N)N=C(N)N)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)N=C(N)/N=C(\N)/NC1=CC=C(C=C1)Cl>[Phase I]>C1=CC(=CC=C1N=C(N)N=C(N)N)Cl Proguanil to 4-Chlorophenylbiguanide,NA
4923,Proguanil,CC(C)N=C(N)/N=C(\N)/NC1=CC=C(C=C1)Cl,Phase I,169502230,Precursor of cycloguanil,CC(=NC(=N)NC(=N)NC1CCC(CC1)Cl)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)N=C(N)/N=C(\N)/NC1=CC=C(C=C1)Cl>[Phase I]>CC(=NC(=N)NC(=N)NC1CCC(CC1)Cl)C Proguanil to Precursor of cycloguanil,NA
4932,Propafenone,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O,Phase I,77052,Desaminated propafenone metabolite,O=C(C1=CC=CC=C1O)CCC2=CC=CC=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O>[Phase I]>O=C(C1=CC=CC=C1O)CCC2=CC=CC=C2 Propafenone to Desaminated propafenone metabolite,NA
4932,Propafenone,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O,Phase I,107927,5-Hydroxypropafenone,CCCNCC(COC1=C(C=C(C=C1)O)C(=O)CCC2=CC=CC=C2)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O>[Phase I]>CCCNCC(COC1=C(C=C(C=C1)O)C(=O)CCC2=CC=CC=C2)O Propafenone to 5-Hydroxypropafenone,NA
4932,Propafenone,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O,Phase I,128820,N-Despropylpropafenone,C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2OCC(CN)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O>[Phase I]>C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2OCC(CN)O Propafenone to N-Despropylpropafenone,NA
4932,Propafenone,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O,Phase II,14156650,Propafenone-glucoronide,CCCNCC(OC1OC(C(O)=O)C(O)C(O)C1O)COC2=CC=CC=C2C(CCC3=CC=CC=C3)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O>[Phase II]>CCCNCC(OC1OC(C(O)=O)C(O)C(O)C1O)COC2=CC=CC=C2C(CCC3=CC=CC=C3)=O Propafenone to Propafenone-glucoronide,NA
4932,Propafenone,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O,Phase I,154699855,(S)-4'-Hydroxypropafenone,CCCNC[C@@H](COC1=CC=CC=C1C(=O)CCC2=CC=C(C=C2)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O>[Phase I]>CCCNC[C@@H](COC1=CC=CC=C1C(=O)CCC2=CC=C(C=C2)O)O Propafenone to (S)-4'-Hydroxypropafenone,NA
4932,Propafenone,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O,Phase I + II,169501950,(S)-4'-Hydroxypropafenone-glucuronide,CCCNC[C@H](O)COC1=CC=CC=C1C(CCC2=CC=C(OC3C(O)C(O)C(O)C(C(O)=O)O3)C=C2)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O>[Phase I + II]>CCCNC[C@H](O)COC1=CC=CC=C1C(CCC2=CC=C(OC3C(O)C(O)C(O)C(C(O)=O)O3)C=C2)=O Propafenone to (S)-4'-Hydroxypropafenone-glucuronide,NA
4932,Propafenone,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O,Phase I + II,169502129,5-Hydroxypropafenone-glucuronide,CCCNCC(O)COC1=CC=C(C2OC(C(O)=O)C(O)C(O)C2O)C=C1C(CCC3=CC=CC=C3)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O>[Phase I + II]>CCCNCC(O)COC1=CC=C(C2OC(C(O)=O)C(O)C(O)C2O)C=C1C(CCC3=CC=CC=C3)=O Propafenone to 5-Hydroxypropafenone-glucuronide,NA
4932,Propafenone,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O,Phase I + II,169502220,N-Despropylpropafenone-glucuronide,O=C(C1=CC=CC=C1OCC(OC2C(C(C(C(O2)C(O)=O)O)O)O)CN)CCC3=CC=CC=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O>[Phase I + II]>O=C(C1=CC=CC=C1OCC(OC2C(C(C(C(O2)C(O)=O)O)O)O)CN)CCC3=CC=CC=C3 Propafenone to N-Despropylpropafenone-glucuronide,NA
4946,Propanolol,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O,Phase I,91565,4'-Hydroxypropanolol,CC(C)NCC(COC1=CC=C(C2=CC=CC=C21)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O>[Phase I]>CC(C)NCC(COC1=CC=C(C2=CC=CC=C21)O)O Propanolol to 4'-Hydroxypropanolol,NA
4946,Propanolol,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O,Phase I,115274,α-Naphthoxylactic acid,C1=CC=C2C(=C1)C=CC=C2OCC(C(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O>[Phase I]>C1=CC=C2C(=C1)C=CC=C2OCC(C(=O)O)O Propanolol to α-Naphthoxylactic acid,NA
4946,Propanolol,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O,Phase II,119515,Propranolol-glucuronide,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O>[Phase II]>CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O Propanolol to Propranolol-glucuronide,NA
4946,Propanolol,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O,Phase I + II,125231,4-Hydroxypropanolol-glucuronide (HOPG),O=C(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C2=CC=CC=C23)=CC=C3OCC(O)CNC(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Otey et al, Biotechnol. Bioeng., 93(3), 2006",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O>[Phase I + II]>O=C(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C2=CC=CC=C23)=CC=C3OCC(O)CNC(C)C Propanolol to 4-Hydroxypropanolol-glucuronide (HOPG),NA
4946,Propanolol,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O,Phase I + II,135862,4-Hydroxypropanolol-sulfate (HOPS),CC(NCC(O)COC1=CC=C(OS(=O)(O)=O)C2=CC=CC=C21)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Otey et al, Biotechnol. Bioeng., 93(3), 2006",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O>[Phase I + II]>CC(NCC(O)COC1=CC=C(OS(=O)(O)=O)C2=CC=CC=C21)C Propanolol to 4-Hydroxypropanolol-sulfate (HOPS),NA
4946,Propanolol,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O,Phase I,159899,N-Desisopropylpropranolol,C1=CC=C2C(=C1)C=CC=C2OCC(CN)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O>[Phase I]>C1=CC=C2C(=C1)C=CC=C2OCC(CN)O Propanolol to N-Desisopropylpropranolol,NA
4946,Propanolol,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O,Phase I,10446087,5'-Hydroxypropanolol,CC(NCC(O)COC1=CC=CC2=C(O)C=CC=C21)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Otey et al, Biotechnol. Bioeng., 93(3), 2006",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O>[Phase I]>CC(NCC(O)COC1=CC=CC2=C(O)C=CC=C21)C Propanolol to 5'-Hydroxypropanolol,NA
4943,Propofol,CC(C)C1=C(C(=CC=C1)C(C)C)O,Phase I,642540,"2,6-Diisopropylobenzoquinone",CC(C(C1=O)=CC(C=C1C(C)C)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Mikstacki et al., Adv. Med. Sci., 58(1), 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC(C)C1=C(C(=CC=C1)C(C)C)O>[Phase I]>CC(C(C1=O)=CC(C=C1C(C)C)=O)C Propofol to 2,6-Diisopropylobenzoquinone",NA
4943,Propofol,CC(C)C1=C(C(=CC=C1)C(C)C)O,Phase I,3014064,4-Hydroxypropofol,CC(C)C1=CC(=CC(=C1O)C(C)C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C1=C(C(=CC=C1)C(C)C)O>[Phase I]>CC(C)C1=CC(=CC(=C1O)C(C)C)O Propofol to 4-Hydroxypropofol,NA
4943,Propofol,CC(C)C1=C(C(=CC=C1)C(C)C)O,Phase I + II,10446031,4-Quinol-sulfate,CC(C)C1=CC(=CC(=C1O)C(C)C)OS(=O)(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C1=C(C(=CC=C1)C(C)C)O>[Phase I + II]>CC(C)C1=CC(=CC(=C1O)C(C)C)OS(=O)(=O)O Propofol to 4-Quinol-sulfate,NA
4943,Propofol,CC(C)C1=C(C(=CC=C1)C(C)C)O,Phase I + II,29981923,1-Quinol-glucuronide,CC(C)C1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(C)C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C1=C(C(=CC=C1)C(C)C)O>[Phase I + II]>CC(C)C1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(C)C)O Propofol to 1-Quinol-glucuronide,NA
4943,Propofol,CC(C)C1=C(C(=CC=C1)C(C)C)O,Phase II,71751823,Propofol-glucuronide,CC(C)C1=C(C(=CC=C1)C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C1=C(C(=CC=C1)C(C)C)O>[Phase II]>CC(C)C1=C(C(=CC=C1)C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O Propofol to Propofol-glucuronide,NA
4943,Propofol,CC(C)C1=C(C(=CC=C1)C(C)C)O,Phase I + II,92131911,4-Quinol-glucuronide,CC(C1=CC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)=CC(C(C)C)=C1O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Mikstacki et al., Adv. Med. Sci., 58(1), 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C1=C(C(=CC=C1)C(C)C)O>[Phase I + II]>CC(C1=CC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)=CC(C(C)C)=C1O)C Propofol to 4-Quinol-glucuronide,NA
7028,Pseudoephedrine,C[C@@H]([C@H](C1=CC=CC=C1)O)NC,Phase I,441457,Norpseudoephedrine (cathine),C[C@@H]([C@H](C1=CC=CC=C1)O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@H]([C@H](C1=CC=CC=C1)O)NC>[Phase I]>C[C@@H]([C@H](C1=CC=CC=C1)O)N Pseudoephedrine to Norpseudoephedrine (cathine),NA
5002,Quetiapine,C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42,Phase I,10431050,Quetiapine-sulfoxide,OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2S(=O)C2=CC=CC=C12,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42>[Phase I]>OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2S(=O)C2=CC=CC=C12 Quetiapine to Quetiapine-sulfoxide,NA
5002,Quetiapine,C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42,Phase I,132203,7-Hydroxyquetiapine,C1CN(CCN1CCOCCO)C2=NC3=C(C=C(C=C3)O)SC4=CC=CC=C42,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42>[Phase I]>C1CN(CCN1CCOCCO)C2=NC3=C(C=C(C=C3)O)SC4=CC=CC=C42 Quetiapine to 7-Hydroxyquetiapine,NA
5002,Quetiapine,C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42,Phase I,10807021,O-Desalkylquetiapine,OCCN1CCN(C2=NC3=CC=CC=C3SC4=CC=CC=C42)CC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42>[Phase I]>OCCN1CCN(C2=NC3=CC=CC=C3SC4=CC=CC=C42)CC1 Quetiapine to O-Desalkylquetiapine,NA
5002,Quetiapine,C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42,Phase I,11369918,Norquetiapine/N-Desalkylquetiapine,C1CN(CCN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42>[Phase I]>C1CN(CCN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42 Quetiapine to Norquetiapine/N-Desalkylquetiapine,NA
3034034,Quinine,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O,Phase I,92792,Desmethylquinine,OC1=CC2=C([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)C=CN=C2C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Marcsisin et al., Malar. J., 12(1), 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O>[Phase I]>OC1=CC2=C([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)C=CN=C2C=C1 Quinine to Desmethylquinine,NA
3034034,Quinine,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O,Phase I,157225,3-Hydroxyquinine,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@]4(C=C)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O>[Phase I]>COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@]4(C=C)O)O Quinine to 3-Hydroxyquinine,NA
3034034,Quinine,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O,Phase I,10522388,"10,11-Dihydroxydihydroquinine",COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4[C@H](CO)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O>[Phase I]>COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4[C@H](CO)O)O Quinine to 10,11-Dihydroxydihydroquinine",NA
3034034,Quinine,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O,Phase I,14589188,Quninine-N-Oxide,COC1=CC2=C([C@@H](O)[C@@H]3C[C@@H]4CC[N+]3([O-])C[C@@H]4C=C)C=CN=C2C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Marcsisin et al., Malar. J., 12(1), 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O>[Phase I]>COC1=CC2=C([C@@H](O)[C@@H]3C[C@@H]4CC[N+]3([O-])C[C@@H]4C=C)C=CN=C2C=C1 Quinine to Quninine-N-Oxide,NA
3034034,Quinine,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O,Phase I,14589191,2'-Quinone,COC1=CC(C([C@@H](O)[C@@H]2C[C@@H]3CCN2C[C@@H]3C=C)=CC(N4)=O)=C4C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O>[Phase I]>COC1=CC(C([C@@H](O)[C@@H]2C[C@@H]3CCN2C[C@@H]3C=C)=CC(N4)=O)=C4C=C1 Quinine to 2'-Quinone,NA
3034034,Quinine,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O,Phase I,14589191,Core-hydroxyquinine,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)C(C=C(O)N=C3C=C4)=C3C=C4OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Marcsisin et al., Malar. J., 12(1), 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O>[Phase I]>C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)C(C=C(O)N=C3C=C4)=C3C=C4OC Quinine to Core-hydroxyquinine,NA
3034034,Quinine,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O,Phase I,165359419,6-Hydroxyquinine,COC1=CC2=C([C@@H](O)[C@@H]3C[C@@H]4CCN3C(O)[C@@H]4C=C)C=CN=C2C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Marcsisin et al., Malar. J., 12(1), 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O>[Phase I]>COC1=CC2=C([C@@H](O)[C@@H]3C[C@@H]4CCN3C(O)[C@@H]4C=C)C=CN=C2C=C1 Quinine to 6-Hydroxyquinine,NA
3034034,Quinine,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O,Phase I,169502181,Quinine-quinone,O=C(C=C1C([C@@H](O)[C@@H]2C[C@@H]3CCN2C[C@@H]3C=C)=C4)C=CC1=NC4=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Marcsisin et al., Malar. J., 12(1), 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O>[Phase I]>O=C(C=C1C([C@@H](O)[C@@H]2C[C@@H]3CCN2C[C@@H]3C=C)=C4)C=CC1=NC4=O Quinine to Quinine-quinone,NA
3034034,Quinine,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O,Phase I,169502216,Hydroxydesmethylquinine,OC1=CC2=C([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)C=C(O)N=C2C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Marcsisin et al., Malar. J., 12(1), 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O>[Phase I]>OC1=CC2=C([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)C=C(O)N=C2C=C1 Quinine to Hydroxydesmethylquinine,NA
54671008,Raltegravir,CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F,Phase II,90478108,Raltegravir-β-D-glucuronide (M1),CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)NCC4=CC=C(C=C4)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F>[Phase II]>CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)NCC4=CC=C(C=C4)F Raltegravir to Raltegravir-β-D-glucuronide (M1),NA
54671008,Raltegravir,CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F,Phase II,169502038,Raltegravir-sulfate (M2),CC1=NN=C(C(NC(C)(C2=NC(C(NCC3=CC=C(F)C=C3)=O)=C(OS(O)(=O)=O)C(N2C)=O)C)=O)O1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F>[Phase II]>CC1=NN=C(C(NC(C)(C2=NC(C(NCC3=CC=C(F)C=C3)=O)=C(OS(O)(=O)=O)C(N2C)=O)C)=O)O1 Raltegravir to Raltegravir-sulfate (M2),NA
54671008,Raltegravir,CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F,Phase I,139024951,Raltegravir metabolite M3,O=C(C(NC(C)(C1=NC(C(NCC2=CC=C(F)C=C2)=O)=C(O)C(N1C)=O)C)=O)NNC(C)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F>[Phase I]>O=C(C(NC(C)(C1=NC(C(NCC2=CC=C(F)C=C2)=O)=C(O)C(N1C)=O)C)=O)NNC(C)=O Raltegravir to Raltegravir metabolite M3,NA
3001055,Ranitidine,CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C,Phase I,3033889,Ranitidine-S-oxide,CN/C(=C\[N+](=O)[O-])/NCCS(=O)CC1=CC=C(O1)CN(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C>[Phase I]>CN/C(=C\[N+](=O)[O-])/NCCS(=O)CC1=CC=C(O1)CN(C)C Ranitidine to Ranitidine-S-oxide,NA
3001055,Ranitidine,CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C,Phase I,163116,5-Desmethylranitidine,CNCC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C>[Phase I]>CNCC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NC Ranitidine to 5-Desmethylranitidine,NA
3001055,Ranitidine,CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C,Phase I,62985,Ranitidine-N-oxide,CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)C[N+](C)(C)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C>[Phase I]>CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)C[N+](C)(C)[O-] Ranitidine to Ranitidine-N-oxide,NA
3001055,Ranitidine,CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C,Phase I,139594611,Furoic acid analogue,CN/C(NCCSCC1=CC=C(C(O)=O)O1)=C\\[N+]([O-])=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C>[Phase I]>CN/C(NCCSCC1=CC=C(C(O)=O)O1)=C\\[N+]([O-])=O Ranitidine to Furoic acid analogue,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,3159843,Ranolazine metabolite CVT-2513,COC1=CC=CC=C1OCC(CN2CCNCC2)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>COC1=CC=CC=C1OCC(CN2CCNCC2)O Ranolazine to Ranolazine metabolite CVT-2513,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169502142,Ranolazine metabolite RS-88250-glucuronide,CC1=C(C(C)=CC(OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)=C1)NC(CN3CCNCC3)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>CC1=C(C(C)=CC(OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)=C1)NC(CN3CCNCC3)=O Ranolazine to Ranolazine metabolite RS-88250-glucuronide,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169501968,Ranolazine metabolite CVT-3389-glucuronide,CC1=C(C(C)=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)NC(CN3CCNCC3)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>CC1=C(C(C)=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)NC(CN3CCNCC3)=O Ranolazine to Ranolazine metabolite CVT-3389-glucuronide,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,91799726,Ranolazine metabolite CVT-3248,CC1=C(NC(CN2CCNCC2)=O)C(CO)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>CC1=C(NC(CN2CCNCC2)=O)C(CO)=CC=C1 Ranolazine to Ranolazine metabolite CVT-3248,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase II,169502134,Ranolazine metabolite M1,CC1=CC=CC(C)=C1NC(CN2CCN(CC2)CC(COC3=CC=CC=C3OC4OC(C(C(C4O)OS(=O)=O)O)O)O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase II]>CC1=CC=CC(C)=C1NC(CN2CCN(CC2)CC(COC3=CC=CC=C3OC4OC(C(C(C4O)OS(=O)=O)O)O)O)=O Ranolazine to Ranolazine metabolite M1,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,91810630,Ranolazine metabolite CVT-3369,OC(CN1CCN(CC(O)COC2=CC=CC=C2OC)CC1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>OC(CN1CCN(CC(O)COC2=CC=CC=C2OC)CC1)=O Ranolazine to Ranolazine metabolite CVT-3369,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,91810630,Ranolazine metabolite CVT-3369,OC(CN1CCN(CC(O)COC2=CC=CC=C2OC)CC1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>OC(CN1CCN(CC(O)COC2=CC=CC=C2OC)CC1)=O Ranolazine to Ranolazine metabolite CVT-3369,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169502245,Ranolazine metabolite CVT-2551-glucuronide,CC1=C(NC(CN2CCN(CC(O)COC3=CC=CC=C3OC)CC2)=O)C(COC4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>CC1=C(NC(CN2CCN(CC(O)COC3=CC=CC=C3OC)CC2)=O)C(COC4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)=CC=C1 Ranolazine to Ranolazine metabolite CVT-2551-glucuronide,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,46781239,O-Desarylranolazine (CVT-2512),CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(CO)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(CO)O Ranolazine to O-Desarylranolazine (CVT-2512),NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,46781239,Ranolazine metabolite CVT-2512,CC1=C(NC(CN2CCN(CC(O)CO)CC2)=O)C(C)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>CC1=C(NC(CN2CCN(CC(O)CO)CC2)=O)C(C)=CC=C1 Ranolazine to Ranolazine metabolite CVT-2512,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169502087,Ranolazine metabolite CVT-5028-glucuronide,COC1=CC=CC=C1OCC(CN2CCN(CC2)CC(NC3=C(C=C(OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(O)=O)O)O)O)C=C3C)C)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>COC1=CC=CC=C1OCC(CN2CCN(CC2)CC(NC3=C(C=C(OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(O)=O)O)O)O)C=C3C)C)=O)O Ranolazine to Ranolazine metabolite CVT-5028-glucuronide,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169501904,Ranolazine metabolite CVT-3388-glucuronide,COC1=CC=CC=C1OCC(CN2CCN(CC2)CC(NC3=C(C=CC(OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(O)=O)O)O)O)=C3C)C)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>COC1=CC=CC=C1OCC(CN2CCN(CC2)CC(NC3=C(C=CC(OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(O)=O)O)O)O)=C3C)C)=O)O Ranolazine to Ranolazine metabolite CVT-3388-glucuronide,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169502140,Ranolazine metabolite CVT-5031-glucuronide,COC1=CC=CC(OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)=C1OCC(CN3CCN(CC3)CC(NC4=C(C=CC=C4C)C)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>COC1=CC=CC(OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)=C1OCC(CN3CCN(CC3)CC(NC4=C(C=CC=C4C)C)=O)O Ranolazine to Ranolazine metabolite CVT-5031-glucuronide,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169501994,Ranolazine metabolite CVT-5030-glucuoronide,COC1=CC=C(OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)C=C1OCC(CN3CCN(CC3)CC(NC4=C(C=CC=C4C)C)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>COC1=CC=C(OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)C=C1OCC(CN3CCN(CC3)CC(NC4=C(C=CC=C4C)C)=O)O Ranolazine to Ranolazine metabolite CVT-5030-glucuoronide,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169502080,Ranolazine metabolite CVT-5029-glucuronide,COC1=CC(OC2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)=CC=C1OCC(CN3CCN(CC3)CC(NC4=C(C=CC=C4C)C)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>COC1=CC(OC2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)=CC=C1OCC(CN3CCN(CC3)CC(NC4=C(C=CC=C4C)C)=O)O Ranolazine to Ranolazine metabolite CVT-5029-glucuronide,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,169502260,Ranolazine metabolite RS-88250,CC1=C(C(C)=CC(O)=C1)NC(CN2CCNCC2)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>CC1=C(C(C)=CC(O)=C1)NC(CN2CCNCC2)=O Ranolazine to Ranolazine metabolite RS-88250,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,71776937,O-Desmethylranolazine-glucuronide,CC1=C(NC(CN2CCN(CC(O)COC3=CC=CC=C3OC4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC2)=O)C(C)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>CC1=C(NC(CN2CCN(CC(O)COC3=CC=CC=C3OC4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC2)=O)C(C)=CC=C1 Ranolazine to O-Desmethylranolazine-glucuronide,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,169501879,Ranolazine metabolite CVT-3389,CC1=C(NC(=O)CN2CCNCC2)C(C)=C(O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>CC1=C(NC(=O)CN2CCNCC2)C(C)=C(O)C=C1 Ranolazine to Ranolazine metabolite CVT-3389,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,2608606,Ranolazine metabolite CVT-2738,CC1=C(C(=CC=C1)C)NC(=O)CN2CCNCC2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>CC1=C(C(=CC=C1)C)NC(=O)CN2CCNCC2 Ranolazine to Ranolazine metabolite CVT-2738,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,91810629,Ranolazine metabolite CVT-2551,CC1=C(C(=CC=C1)CO)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>CC1=C(C(=CC=C1)CO)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O Ranolazine to Ranolazine metabolite CVT-2551,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase II,169502012,Ranolazine-glucuronide,OC([C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C1OC(COC2=CC=CC=C2OC)CN(CC3)CCN3CC(NC(C(C)=CC=C4)=C4C)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase II]>OC([C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C1OC(COC2=CC=CC=C2OC)CN(CC3)CCN3CC(NC(C(C)=CC=C4)=C4C)=O)=O Ranolazine to Ranolazine-glucuronide,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,165340717,Ranolazine metabolite CVT-5029,COC1=CC(O)=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>COC1=CC(O)=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1 Ranolazine to Ranolazine metabolite CVT-5029,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,169501880,Ranolazine metabolite CVT-5031,COC1=CC=CC(O)=C1OCC(CN2CCN(CC2)CC(NC3=C(C=CC=C3C)C)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>COC1=CC=CC(O)=C1OCC(CN2CCN(CC2)CC(NC3=C(C=CC=C3C)C)=O)O Ranolazine to Ranolazine metabolite CVT-5031,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,169501882,Ranolazine metabolite CVT-5028,COC1=CC=CC=C1OCC(CN2CCN(CC2)CC(NC3=C(C=C(O)C=C3C)C)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>COC1=CC=CC=C1OCC(CN2CCN(CC2)CC(NC3=C(C=C(O)C=C3C)C)=O)O Ranolazine to Ranolazine metabolite CVT-5028,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,169501887,Ranolazine metabolite CVT-5030,COC1=CC=C(O)C=C1OCC(CN2CCN(CC2)CC(NC3=C(C=CC=C3C)C)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>COC1=CC=C(O)C=C1OCC(CN2CCN(CC2)CC(NC3=C(C=CC=C3C)C)=O)O Ranolazine to Ranolazine metabolite CVT-5030,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,169502079,Ranolazine metabolite CVT-3388,COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC(O)=C2C)CC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC(O)=C2C)CC1 Ranolazine to Ranolazine metabolite CVT-3388,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,46781189,"O-Desmethylranolazine (RS-88390, CVT-2514)",CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3O)O Ranolazine to O-Desmethylranolazine (RS-88390, CVT-2514)",NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169501797,Ranolazine metabolite RS-88250-sulfate,CC1=C(C(C)=CC(OS(=O)(O)=O)=C1)NC(CN2CCNCC2)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>CC1=C(C(C)=CC(OS(=O)(O)=O)=C1)NC(CN2CCNCC2)=O Ranolazine to Ranolazine metabolite RS-88250-sulfate,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169501886,Ranolazine metabolite CVT-3389-sulfate,CC1=C(C(C)=C(C=C1)OS(=O)(O)=O)NC(CN2CCNCC2)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>CC1=C(C(C)=C(C=C1)OS(=O)(O)=O)NC(CN2CCNCC2)=O Ranolazine to Ranolazine metabolite CVT-3389-sulfate,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169501912,Ranolazine metabolite CVT-2551-sulfate,CC1=C(NC(CN2CCN(CC(O)COC3=CC=CC=C3OC)CC2)=O)C(COS(=O)(O)=O)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>CC1=C(NC(CN2CCN(CC(O)COC3=CC=CC=C3OC)CC2)=O)C(COS(=O)(O)=O)=CC=C1 Ranolazine to Ranolazine metabolite CVT-2551-sulfate,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,3516,Ranolazine metabolite CVT-2534 (Guaifenesin),COC1=CC=CC=C1OCC(CO)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>COC1=CC=CC=C1OCC(CO)O Ranolazine to Ranolazine metabolite CVT-2534 (Guaifenesin),NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169501857,Ranolazine metabolite CVT-5029-sulfate,COC1=CC(OS(=O)(O)=O)=CC=C1OCC(CN2CCN(CC2)CC(NC3=C(C=CC=C3C)C)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>COC1=CC(OS(=O)(O)=O)=CC=C1OCC(CN2CCN(CC2)CC(NC3=C(C=CC=C3C)C)=O)O Ranolazine to Ranolazine metabolite CVT-5029-sulfate,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169501963,Ranolazine metabolite CVT-5030-sulfate,COC1=CC=C(OS(O)(=O)=O)C=C1OCC(CN2CCN(CC2)CC(NC3=C(C=CC=C3C)C)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>COC1=CC=C(OS(O)(=O)=O)C=C1OCC(CN2CCN(CC2)CC(NC3=C(C=CC=C3C)C)=O)O Ranolazine to Ranolazine metabolite CVT-5030-sulfate,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169501999,Ranolazine metabolite CVT-5031-sulfate,COC1=CC=CC(OS(O)(=O)=O)=C1OCC(CN2CCN(CC2)CC(NC3=C(C=CC=C3C)C)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>COC1=CC=CC(OS(O)(=O)=O)=C1OCC(CN2CCN(CC2)CC(NC3=C(C=CC=C3C)C)=O)O Ranolazine to Ranolazine metabolite CVT-5031-sulfate,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169501847,Ranolazine metabolite CVT-5028-sulfate,COC1=CC=CC=C1OCC(CN2CCN(CC2)CC(NC3=C(C=C(OS(=O)(O)=O)C=C3C)C)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>COC1=CC=CC=C1OCC(CN2CCN(CC2)CC(NC3=C(C=C(OS(=O)(O)=O)C=C3C)C)=O)O Ranolazine to Ranolazine metabolite CVT-5028-sulfate,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,169502074,Ranolazine metabolite CVT-3388-sulfate,COC1=CC=CC=C1OCC(CN2CCN(CC2)CC(NC3=C(C=CC(OS(=O)(O)=O)=C3C)C)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>COC1=CC=CC=C1OCC(CN2CCN(CC2)CC(NC3=C(C=CC(OS(=O)(O)=O)=C3C)C)=O)O Ranolazine to Ranolazine metabolite CVT-3388-sulfate,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,151727,Ranolazine metabolite CVT-4786,OC(COC1=CC=CC=C1OC)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>OC(COC1=CC=CC=C1OC)C(O)=O Ranolazine to Ranolazine metabolite CVT-4786,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I + II,165412014,O-Desmethylranolazine-sulfate,CC1=C(NC(CN2CCN(CC(O)COC3=CC=CC=C3OS(=O)(O)=O)CC2)=O)C(C)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I + II]>CC1=C(NC(CN2CCN(CC(O)COC3=CC=CC=C3OS(=O)(O)=O)CC2)=O)C(C)=CC=C1 Ranolazine to O-Desmethylranolazine-sulfate,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,169437992,Ranolazine-N-oxide,CC1=C(NC(C[N+]2([O-])CCN(CC(COC3=CC=CC=C3OC)O)CC2)=O)C(C)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Jerling et al., J. Clin. Pharmacol., 45(4), 2005",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>CC1=C(NC(C[N+]2([O-])CCN(CC(COC3=CC=CC=C3OC)O)CC2)=O)C(C)=CC=C1 Ranolazine to Ranolazine-N-oxide,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,14480057,Ranolazine metabolite CVT-2535,CC1=C(C(=CC=C1)C)NC(=O)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>CC1=C(C(=CC=C1)C)NC(=O)CO Ranolazine to Ranolazine metabolite CVT-2535,NA
56959,Ranolazine,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,Phase I,14987869,Ranolazine metabolite CVT-2537,CC1=CC=CC(C)=C1NC(C(O)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O>[Phase I]>CC1=CC=CC(C)=C1NC(C(O)=O)=O Ranolazine to Ranolazine metabolite CVT-2537,NA
135398735,Rifampicin,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C,Phase I,135542225,25-O-Desacetylrifampicin,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)O)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C>[Phase I]>C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)O)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C Rifampicin to 25-O-Desacetylrifampicin,NA
135398735,Rifampicin,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C,Phase I,6438444,3-Formylrifampicin,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=O)/C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Duca, Flipper E Nuvola, 2013",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C>[Phase I]>C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=O)/C Rifampicin to 3-Formylrifampicin,NA
6436173,Rifaximin,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)/C,Phase I,71655389,25-Desacetylrifaximin,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)O)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)/C ,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)/C>[Phase I]>C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)O)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)/C  Rifaximin to 25-Desacetylrifaximin,NA
392622,Ritonavir,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O,Phase I,169502032,Ritonavir metabolite M5,CC(C(NC(N(CC1=CSC(C(C)(O)C)=N1)C)=O)C(NC(CC(O)C(N)CC2=CC=CC=C2)CC3=CC=CC=C3)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Denissen et al., Drug Metab. Dispos., 25(4), 1997",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O>[Phase I]>CC(C(NC(N(CC1=CSC(C(C)(O)C)=N1)C)=O)C(NC(CC(O)C(N)CC2=CC=CC=C2)CC3=CC=CC=C3)=O)C Ritonavir to Ritonavir metabolite M5,NA
392622,Ritonavir,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O,Phase I,11467322,Ritonavir metabolite M1,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)N)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O>[Phase I]>CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)N)O Ritonavir to Ritonavir metabolite M1,NA
392622,Ritonavir,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O,Phase I,66832582,Ritonavir metabolite M11,CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)O)NC(=O)NC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O>[Phase I]>CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)O)NC(=O)NC Ritonavir to Ritonavir metabolite M11,NA
392622,Ritonavir,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O,Phase I,91976272,Hydroxyritonavir (M2),CC(C)C(C(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)O)NC(=O)N(C)CC4=CSC(=N4)C(C)(C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O>[Phase I]>CC(C)C(C(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)O)NC(=O)N(C)CC4=CSC(=N4)C(C)(C)O Ritonavir to Hydroxyritonavir (M2),NA
392622,Ritonavir,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O,Phase I,44334979,N-Desmethylritonavir,CC(C)C1=NC(=CS1)CNC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O>[Phase I]>CC(C)C1=NC(=CS1)CNC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O Ritonavir to N-Desmethylritonavir,NA
9875401,Rivaroxaban,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,Phase I,11346837,Rivaroxaban metabolite M15,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CN,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Weinz et al., Drug Metab. Dispos., 37(5), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl>[Phase I]>C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CN Rivaroxaban to Rivaroxaban metabolite M15,NA
9875401,Rivaroxaban,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,Phase I,67306387,Rivaroxaban metabolite M17,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Weinz et al., Drug Metab. Dispos., 37(5), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl>[Phase I]>C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CO Rivaroxaban to Rivaroxaban metabolite M17,NA
9875401,Rivaroxaban,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,Phase I,125342451,Rivaroxaban metabolite M16,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)C=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Weinz et al., Drug Metab. Dispos., 37(5), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl>[Phase I]>C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)C=O Rivaroxaban to Rivaroxaban metabolite M16,NA
9875401,Rivaroxaban,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,Phase I,125329358,Rivaroxaban metabolite M18,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Weinz et al., Drug Metab. Dispos., 37(5), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl>[Phase I]>C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)C(=O)O Rivaroxaban to Rivaroxaban metabolite M18,NA
9875401,Rivaroxaban,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,Phase I,59190906,Rivaroxaban metabolite M6,C1[C@@H](OC(=O)N1C2=CC=C(C=C2)NCCO)CNC(=O)C3=CC=C(S3)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Weinz et al., Drug Metab. Dispos., 37(5), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl>[Phase I]>C1[C@@H](OC(=O)N1C2=CC=C(C=C2)NCCO)CNC(=O)C3=CC=C(S3)Cl Rivaroxaban to Rivaroxaban metabolite M6,NA
9875401,Rivaroxaban,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,Phase I,16038377,Rivaroxaban metabolite M7,O=C1O[C@@H](CNC(C2=CC=C(Cl)S2)=O)CN1C(C=C3)=CC=C3NCCOCC(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Weinz et al., Drug Metab. Dispos., 37(5), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl>[Phase I]>O=C1O[C@@H](CNC(C2=CC=C(Cl)S2)=O)CN1C(C=C3)=CC=C3NCCOCC(O)=O Rivaroxaban to Rivaroxaban metabolite M7,NA
9875401,Rivaroxaban,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,Phase I,46782891,Rivaroxaban diol (M5),C1[C@@H](OC(=O)N1C2=CC=C(C=C2)N(CCO)C(=O)CO)CNC(=O)C3=CC=C(S3)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Weinz et al., Drug Metab. Dispos., 37(5), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl>[Phase I]>C1[C@@H](OC(=O)N1C2=CC=C(C=C2)N(CCO)C(=O)CO)CNC(=O)C3=CC=C(S3)Cl Rivaroxaban to Rivaroxaban diol (M5),NA
9875401,Rivaroxaban,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,Phase I,43239030,Rivaroxaban metabolite M4,C1=C(SC(=C1)Cl)C(=O)NCC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Weinz et al., Drug Metab. Dispos., 37(5), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl>[Phase I]>C1=C(SC(=C1)Cl)C(=O)NCC(=O)O Rivaroxaban to Rivaroxaban metabolite M4,NA
9875401,Rivaroxaban,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,Phase I,91971681,Rivaroxaban metabolite M1,OC(C(N(C1=CC=C(N2C[C@H](CNC(C3=CC=C(Cl)S3)=O)OC2=O)C=C1)CCO)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Weinz et al., Drug Metab. Dispos., 37(5), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl>[Phase I]>OC(C(N(C1=CC=C(N2C[C@H](CNC(C3=CC=C(Cl)S3)=O)OC2=O)C=C1)CCO)=O)=O Rivaroxaban to Rivaroxaban metabolite M1,NA
9875401,Rivaroxaban,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,Phase I,95048,Rivaroxaban metabolite M13,C1=C(SC(=C1)Cl)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Weinz et al., Drug Metab. Dispos., 37(5), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl>[Phase I]>C1=C(SC(=C1)Cl)C(=O)O Rivaroxaban to Rivaroxaban metabolite M13,NA
9875401,Rivaroxaban,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,Phase I,71752092,Rivaroxaban metabolite M9,C1COCC(=O)N1C2=CC=C(C=C2)N3C([C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Weinz et al., Drug Metab. Dispos., 37(5), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl>[Phase I]>C1COCC(=O)N1C2=CC=C(C=C2)N3C([C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl)O Rivaroxaban to Rivaroxaban metabolite M9,NA
9875401,Rivaroxaban,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,Phase I,131667832,Rivaroxaban metabolite M3,C1[C@@H](OC(=O)N1C2=CC=C(C=C2)N3CC(OCC3=O)O)CNC(=O)C4=CC=C(S4)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Weinz et al., Drug Metab. Dispos., 37(5), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl>[Phase I]>C1[C@@H](OC(=O)N1C2=CC=C(C=C2)N3CC(OCC3=O)O)CNC(=O)C4=CC=C(S4)Cl Rivaroxaban to Rivaroxaban metabolite M3,NA
9875401,Rivaroxaban,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,Phase I,166708110,Rivaroxaban metabolite M8,O=C1COCC(O)N1C2=CC=C(N3C[C@H](CNC(C4=CC=C(Cl)S4)=O)OC3=O)C=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Weinz et al., Drug Metab. Dispos., 37(5), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl>[Phase I]>O=C1COCC(O)N1C2=CC=C(N3C[C@H](CNC(C4=CC=C(Cl)S4)=O)OC3=O)C=C2 Rivaroxaban to Rivaroxaban metabolite M8,NA
9875401,Rivaroxaban,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,Phase I,131667831,2-Hydroxy-3-oxo-Rivaroxaban (M2),C1COC(C(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Weinz et al., Drug Metab. Dispos., 37(5), 2009",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl>[Phase I]>C1COC(C(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl)O Rivaroxaban to 2-Hydroxy-3-oxo-Rivaroxaban (M2),NA
446157,Rosuvastatin,CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C,Phase I,9956224,N-Desmethylrosuvastatin,CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)NS(=O)(=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C>[Phase I]>CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)NS(=O)(=O)C Rosuvastatin to N-Desmethylrosuvastatin,NA
446157,Rosuvastatin,CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C,Phase I,29918986,Rosuvastatin-5-S-lactone,CC(C)C1=NC(=NC(=C1/C=C/[C@@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)N(C)S(=O)(=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C>[Phase I]>CC(C)C1=NC(=NC(=C1/C=C/[C@@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)N(C)S(=O)(=O)C Rosuvastatin to Rosuvastatin-5-S-lactone,NA
5143,Saccharin,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,Phase I,69436,O-Sulfamoylbenzoic acid,C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Lethco et al., Toxicology, 3(3), 1975",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=C2C(=C1)C(=O)NS2(=O)=O>[Phase I]>C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N Saccharin to O-Sulfamoylbenzoic acid,NA
9811834,Sacubitril,CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O,Phase I,10430040,Sacubitrilat (LBQ657),C[C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O>[Phase I]>C[C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O)C(=O)O Sacubitril to Sacubitrilat (LBQ657),NA
5199,Senna,C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O,Phase I,10168,Rhein,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O>[Phase I]>C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O Senna to Rhein,NA
5199,Senna,C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O,Phase I,119396,Rheinanthrone,C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=C(C=C3O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O>[Phase I]>C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=C(C=C3O)C(=O)O Senna to Rheinanthrone,NA
5199,Senna,C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O,Phase I,92826,Sennidin A,C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@@H]4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O>[Phase I]>C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@@H]4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O Senna to Sennidin A,NA
5199,Senna,C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O,Phase I,10459879,Sennidin B,C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O>[Phase I]>C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O Senna to Sennidin B,NA
68617,Sertraline,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl,Phase I,114743,Norsertraline (desmethylsertraline),C1C[C@@H](C2=CC=CC=C2[C@@H]1C3=CC(=C(C=C3)Cl)Cl)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl>[Phase I]>C1C[C@@H](C2=CC=CC=C2[C@@H]1C3=CC(=C(C=C3)Cl)Cl)N Sertraline to Norsertraline (desmethylsertraline),NA
68617,Sertraline,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl,Phase I + II,169501902,α-Hydroxysertraline ketone-glucuronide,O=C1C(C[C@@H](C2=CC(Cl)=C(C)C=C2)C3=CC=CC=C13)OC4C(O)C(O)C(O)C(C(O)=O)O4,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl>[Phase I + II]>O=C1C(C[C@@H](C2=CC(Cl)=C(C)C=C2)C3=CC=CC=C13)OC4C(O)C(O)C(O)C(C(O)=O)O4 Sertraline to α-Hydroxysertraline ketone-glucuronide,NA
68617,Sertraline,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl,Phase I + II,169501978,N-Hydroxysertraline-glucuronide,CN(OC1OC(C(O)=O)C(O)C(O)C1O)[C@H]2CC[C@@H](C3=CC(Cl)=C(Cl)C=C3)C4=CC=CC=C24,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl>[Phase I + II]>CN(OC1OC(C(O)=O)C(O)C(O)C1O)[C@H]2CC[C@@H](C3=CC(Cl)=C(Cl)C=C3)C4=CC=CC=C24 Sertraline to N-Hydroxysertraline-glucuronide,NA
68617,Sertraline,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl,Phase I + II,71752187,Sertraline carbamoyl-O-glucuronide,CN([C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl>[Phase I + II]>CN([C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O Sertraline to Sertraline carbamoyl-O-glucuronide,NA
68617,Sertraline,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl,Phase I,169501844,α-Hydroxysertraline ketone,O=C1C(O)C[C@H](C2=CC=CC=C12)C3=CC(Cl)=C(C=C3)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl>[Phase I]>O=C1C(O)C[C@H](C2=CC=CC=C12)C3=CC(Cl)=C(C=C3)C Sertraline to α-Hydroxysertraline ketone,NA
68617,Sertraline,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl,Phase I,56626156,N-Hydroxysertraline,CN([C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl>[Phase I]>CN([C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl)O Sertraline to N-Hydroxysertraline,NA
68617,Sertraline,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl,Phase I,1474501,Sertraline ketone,O=C1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C3=CC=CC=C13,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl>[Phase I]>O=C1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C3=CC=CC=C13 Sertraline to Sertraline ketone,NA
68617,Sertraline,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl,Phase I,135312072,Sertraline carbamaic acid,CN([C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl>[Phase I]>CN([C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl)C(=O)O Sertraline to Sertraline carbamaic acid,NA
135398744,Sildenafil,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,Phase I,169501900,Sildenafil metabolite M8,CC(O)CC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(S(=O)(NCCN)=O)=C3)OCC)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Kim et al., J. Chromatogr. B, 1072, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C>[Phase I]>CC(O)CC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(S(=O)(NCCN)=O)=C3)OCC)C Sildenafil to Sildenafil metabolite M8,NA
135398744,Sildenafil,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,Phase I,169501851,Sildenafil metabolite M5,CN(C1=C2N=C(NC1=O)C3=C(C=CC(S(=O)(NCCNC)=O)=C3)OCC)N=C2CCCO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C>[Phase I]>CN(C1=C2N=C(NC1=O)C3=C(C=CC(S(=O)(NCCNC)=O)=C3)OCC)N=C2CCCO Sildenafil to Sildenafil metabolite M5,NA
135398744,Sildenafil,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,Phase I,135579751,Sildenafil metabolite M1 (M4),CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(C(=O)N3)N(N=C4CCCO)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Kim et al., J. Chromatogr. B, 1072, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C>[Phase I]>CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(C(=O)N3)N(N=C4CCCO)C Sildenafil to Sildenafil metabolite M1 (M4),NA
135398744,Sildenafil,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,Phase I,135404978,"Sildenafil metabolite (UK-331,849) (M2)",CCCC1=NN(C)C2=C1N=C(C3=C(OCC)C=CC(S(=O)(NCCN)=O)=C3)NC2=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C>[Phase I]>CCCC1=NN(C)C2=C1N=C(C3=C(OCC)C=CC(S(=O)(NCCN)=O)=C3)NC2=O Sildenafil to Sildenafil metabolite (UK-331,849) (M2)",NA
135398744,Sildenafil,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,Phase I,169502193,Sildenafil metabolite M10 (hydroxylation at different positions of the ring possible),CCCC1=NN(C)C2=C1N=C(C3=C(OCC)C=CC(S(=O)(N4CCNC(O)C4)=O)=C3)NC2=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Kim et al., J. Chromatogr. B, 1072, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C>[Phase I]>CCCC1=NN(C)C2=C1N=C(C3=C(OCC)C=CC(S(=O)(N4CCNC(O)C4)=O)=C3)NC2=O Sildenafil to Sildenafil metabolite M10 (hydroxylation at different positions of the ring possible),NA
135398744,Sildenafil,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,Phase I,135539056,"Sildenafil metabolite (UK-150,564)",CCCC1=NN(C)C2=C1N=C(C3=C(OCC)C=CC(S(=O)(NCCNC)=O)=C3)NC2=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C>[Phase I]>CCCC1=NN(C)C2=C1N=C(C3=C(OCC)C=CC(S(=O)(NCCNC)=O)=C3)NC2=O Sildenafil to Sildenafil metabolite (UK-150,564)",NA
135398744,Sildenafil,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,Phase I,135455980,"N-Desmethylsildenafil (UK-103,320) (M4)",CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCNCC4)OCC)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C>[Phase I]>CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCNCC4)OCC)C Sildenafil to N-Desmethylsildenafil (UK-103,320) (M4)",NA
135398744,Sildenafil,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,Phase I,169502103,Sildenafil metabolite M5 (hydroxylation at different positions of the ring possible),CCCC1=NN(C)C2=C1N=C(C3=C(OCC)C=CC(S(=O)(N4CCN(C)C(O)C4)=O)=C3)NC2=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Kim et al., J. Chromatogr. B, 1072, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C>[Phase I]>CCCC1=NN(C)C2=C1N=C(C3=C(OCC)C=CC(S(=O)(N4CCN(C)C(O)C4)=O)=C3)NC2=O Sildenafil to Sildenafil metabolite M5 (hydroxylation at different positions of the ring possible),NA
135398744,Sildenafil,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,Phase I,169502287,Sildenafil metabolite M7,CCOC1=C(C2=NC3=C(N(C)N=C3CCC)C(N2)=O)C=C(S(=O)(NCCNC(C)=O)=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Kim et al., J. Chromatogr. B, 1072, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C>[Phase I]>CCOC1=C(C2=NC3=C(N(C)N=C3CCC)C(N2)=O)C=C(S(=O)(NCCNC(C)=O)=O)C=C1 Sildenafil to Sildenafil metabolite M7,NA
135398744,Sildenafil,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,Phase I,169501984,Sildenafil metabolite M3,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(S(=O)(NCC(O)=O)=O)=C3)OCC)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C>[Phase I]>CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(S(=O)(NCC(O)=O)=O)=C3)OCC)C Sildenafil to Sildenafil metabolite M3,NA
135398744,Sildenafil,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,Phase I,169501984,Sildenafil metabolite M3,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(S(=O)(NCC(O)=O)=O)=C3)OCC)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C>[Phase I]>CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(S(=O)(NCC(O)=O)=O)=C3)OCC)C Sildenafil to Sildenafil metabolite M3,NA
135398744,Sildenafil,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,Phase I,135444791,Sildenafil metabolite M12,CCOC1=C(C2=NC3=C(N(C)N=C3CCC)C(N2)=O)C=C(S(=O)(N4CCN(C([H])=O)CC4)=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Kim et al., J. Chromatogr. B, 1072, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C>[Phase I]>CCOC1=C(C2=NC3=C(N(C)N=C3CCC)C(N2)=O)C=C(S(=O)(N4CCN(C([H])=O)CC4)=O)C=C1 Sildenafil to Sildenafil metabolite M12,NA
135398744,Sildenafil,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,Phase I,169501793,Sildenafil metabolite M11,CCOC1=C(C2=NC3=C(N(C)N=C3CCC)C(N2)=O)C=C(S(=O)(N4CCN(O)CC4)=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Kim et al., J. Chromatogr. B, 1072, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C>[Phase I]>CCOC1=C(C2=NC3=C(N(C)N=C3CCC)C(N2)=O)C=C(S(=O)(N4CCN(O)CC4)=O)C=C1 Sildenafil to Sildenafil metabolite M11,NA
135398744,Sildenafil,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,Phase I,135447056,Sildenafil metabolite M9,CCOC1=C(C2=NC3=C(N(C)N=C3CCC)C(N2)=O)C=C(S(=O)(N)=O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Kim et al., J. Chromatogr. B, 1072, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C>[Phase I]>CCOC1=C(C2=NC3=C(N(C)N=C3CCC)C(N2)=O)C=C(S(=O)(N)=O)C=C1 Sildenafil to Sildenafil metabolite M9,NA
135398744,Sildenafil,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,Phase I,169502272,Sildenafil metabolite M6,CCCC1=NN(C)C2=C1N=C(C3=C(OCC)C=CC(S(=O)(N4CCN(C)C=C4)=O)=C3)NC2=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Kim et al., J. Chromatogr. B, 1072, 2018",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C>[Phase I]>CCCC1=NN(C)C2=C1N=C(C3=C(OCC)C=CC(S(=O)(N4CCN(C)C=C4)=O)=C3)NC2=O Sildenafil to Sildenafil metabolite M6,NA
5213,Silymarin,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,Phase I,78210148,O-Demethylated silybin,C1=CC(=C(C=C1[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O>[Phase I]>C1=CC(=C(C=C1[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O)O Silymarin to O-Demethylated silybin,NA
5213,Silymarin,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,Phase II,169501778,Silibinin-glucuronide,COC1=C(O)C=CC(C2C(COC3C(O)C(O)C(O)C(C(O)=O)O3)OC4=C(C=C(C5C(O)C(C6=C(O)C=C(O)C=C6O5)=O)C=C4)O2)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O>[Phase II]>COC1=C(O)C=CC(C2C(COC3C(O)C(O)C(O)C(C(O)=O)O3)OC4=C(C=C(C5C(O)C(C6=C(O)C=C(O)C=C6O5)=O)C=C4)O2)=C1 Silymarin to Silibinin-glucuronide,NA
5213,Silymarin,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,Phase II,169501802,Silibinin-sulfate,COC1=C(O)C=CC(C2C(COS(=O)(O)=O)OC3=C(C=C(C4C(O)C(C5=C(O)C=C(O)C=C5O4)=O)C=C3)O2)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O>[Phase II]>COC1=C(O)C=CC(C2C(COS(=O)(O)=O)OC3=C(C=C(C4C(O)C(C5=C(O)C=C(O)C=C5O4)=O)C=C3)O2)=C1 Silymarin to Silibinin-sulfate,NA
5213,Silymarin,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,Phase I + II,169501864,20-O-β-D-glucuronide,OC1=C(C=CC(C2C(OC3=C(O2)C=C(C=C3)C4C(C(C5=C(C=C(C=C5O4)O)O)=O)O)CO)=C1)OC6C(O)C(C(C(O6)C(O)=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Xie et al., Molecules, 24(20), 2019",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O>[Phase I + II]>OC1=C(C=CC(C2C(OC3=C(O2)C=C(C=C3)C4C(C(C5=C(C=C(C=C5O4)O)O)=O)O)CO)=C1)OC6C(O)C(C(C(O6)C(O)=O)O)O Silymarin to 20-O-β-D-glucuronide,NA
5213,Silymarin,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,Phase I + II,169501960,20-O-β-D-glucuronide-7-O-β-glucuronide,OC1=C(C=CC(C2C(OC3=C(O2)C=C(C=C3)C4C(C(C5=C(C=C(C=C5O4)OC6C(O)C(C(C(O6)C(O)=O)O)O)O)=O)O)CO)=C1)OC7C(O)C(C(C(O7)C(O)=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Xie et al., Molecules, 24(20), 2019",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O>[Phase I + II]>OC1=C(C=CC(C2C(OC3=C(O2)C=C(C=C3)C4C(C(C5=C(C=C(C=C5O4)OC6C(O)C(C(C(O6)C(O)=O)O)O)O)=O)O)CO)=C1)OC7C(O)C(C(C(O7)C(O)=O)O)O Silymarin to 20-O-β-D-glucuronide-7-O-β-glucuronide,NA
5213,Silymarin,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,Phase I + II,169501976,20-O-β-D-sulfate,OC1=C(C=CC(C2C(OC3=C(O2)C=C(C=C3)C4C(C(C5=C(C=C(C=C5O4)O)O)=O)O)CO)=C1)OS(=O)(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Xie et al., Molecules, 24(20), 2019",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O>[Phase I + II]>OC1=C(C=CC(C2C(OC3=C(O2)C=C(C=C3)C4C(C(C5=C(C=C(C=C5O4)O)O)=O)O)CO)=C1)OS(=O)(O)=O Silymarin to 20-O-β-D-sulfate,NA
5213,Silymarin,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,Phase I + II,169502022,7-O-β-D-sulfate-20-O-β-glucuronide,OC1=C(C=CC(C2C(OC3=C(O2)C=C(C=C3)C4C(C(C5=C(C=C(C=C5O4)OS(O)(=O)=O)O)=O)O)CO)=C1)OC6C(O)C(C(C(O6)C(O)=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Xie et al., Molecules, 24(20), 2019",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O>[Phase I + II]>OC1=C(C=CC(C2C(OC3=C(O2)C=C(C=C3)C4C(C(C5=C(C=C(C=C5O4)OS(O)(=O)=O)O)=O)O)CO)=C1)OC6C(O)C(C(C(O6)C(O)=O)O)O Silymarin to 7-O-β-D-sulfate-20-O-β-glucuronide,NA
5213,Silymarin,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,Phase I + II,169502078,7-O-β-D-glucuronide,OC1=C(C=CC(C2C(OC3=C(O2)C=C(C=C3)C4C(C(C5=C(C=C(OC6C(O)C(C(C(O6)C(O)=O)O)O)C=C5O4)O)=O)O)CO)=C1)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Xie et al., Molecules, 24(20), 2019",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O>[Phase I + II]>OC1=C(C=CC(C2C(OC3=C(O2)C=C(C=C3)C4C(C(C5=C(C=C(OC6C(O)C(C(C(O6)C(O)=O)O)O)C=C5O4)O)=O)O)CO)=C1)O Silymarin to 7-O-β-D-glucuronide,NA
5213,Silymarin,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,Phase I,169502112,Dihydroxy-O-demethylated silybin (hydroxylations at different positions possible),O=C(C1=C(O)C(O)=C(O)C=C1O2)[C@H](O)[C@H]2C(C=C3)=CC(O4)=C3O[C@H](CO)[C@H]4C5=CC(O)=C(O)C(O)=C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Xie et al., Molecules, 24(20), 2019",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O>[Phase I]>O=C(C1=C(O)C(O)=C(O)C=C1O2)[C@H](O)[C@H]2C(C=C3)=CC(O4)=C3O[C@H](CO)[C@H]4C5=CC(O)=C(O)C(O)=C5 Silymarin to Dihydroxy-O-demethylated silybin (hydroxylations at different positions possible),NA
5213,Silymarin,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,Phase I + II,169502189,7-O-β-D-sulfate,OC1=C(C=CC(C2C(OC3=C(O2)C=C(C=C3)C4C(C(C5=C(C=C(C=C5O4)OS(=O)(O)=O)O)=O)O)CO)=C1)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Xie et al., Molecules, 24(20), 2019",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O>[Phase I + II]>OC1=C(C=CC(C2C(OC3=C(O2)C=C(C=C3)C4C(C(C5=C(C=C(C=C5O4)OS(=O)(O)=O)O)=O)O)CO)=C1)O Silymarin to 7-O-β-D-sulfate,NA
5213,Silymarin,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,Phase I + II,169502267,20-O-β-D-sulfate-7-O-β-glucuronide,OC1=C(C=CC(C2C(OC3=C(O2)C=C(C=C3)C4C(C(C5=C(C=C(C=C5O4)OC6C(O)C(C(C(O6)C(O)=O)O)O)O)=O)O)CO)=C1)OS(=O)(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Xie et al., Molecules, 24(20), 2019",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O>[Phase I + II]>OC1=C(C=CC(C2C(OC3=C(O2)C=C(C=C3)C4C(C(C5=C(C=C(C=C5O4)OC6C(O)C(C(C(O6)C(O)=O)O)O)O)=O)O)CO)=C1)OS(=O)(O)=O Silymarin to 20-O-β-D-sulfate-7-O-β-glucuronide,NA
5213,Silymarin,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,Phase I,169502283,Hydroxy-O-demethylated silybin (hydroxylations at different positions possible),O=C(C1=C(O)C=C(O)C=C1O2)[C@H](O)[C@H]2C(C=C3)=CC(O4)=C3O[C@H](CO)[C@H]4C5=CC(O)=C(O)C(O)=C5,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Xie et al., Molecules, 24(20), 2019",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O>[Phase I]>O=C(C1=C(O)C=C(O)C=C1O2)[C@H](O)[C@H]2C(C=C3)=CC(O4)=C3O[C@H](CO)[C@H]4C5=CC(O)=C(O)C(O)=C5 Silymarin to Hydroxy-O-demethylated silybin (hydroxylations at different positions possible),NA
54454,Simvastatin,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C,Phase I,102329665,"Dihydrosimvastatin-3',5'-diol",CCC(C)(C)C(=O)O[C@H]1C[C@H](C(C2=CC([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)O)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C>[Phase I]>CCC(C)(C)C(=O)O[C@H]1C[C@H](C(C2=CC([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)O)O)C Simvastatin to Dihydrosimvastatin-3',5'-diol",NA
54454,Simvastatin,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C,Phase I,102329664,6'-β-Hydroxysimvastatin,CCC(C)(C)C(=O)O[C@H]1C[C@](C=C2C1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)(C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C>[Phase I]>CCC(C)(C)C(=O)O[C@H]1C[C@](C=C2C1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)(C)O Simvastatin to 6'-β-Hydroxysimvastatin,NA
54454,Simvastatin,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C,Phase I,122627383,3'-Hydroxysimvastatin,CCC(C)(C(O[C@H]1CC(C)=CC2=CC(O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(O3)=O)C21)=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Prueksaritanont et al., Drug Metab. Dispos., 25(10), 1997",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C>[Phase I]>CCC(C)(C(O[C@H]1CC(C)=CC2=CC(O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(O3)=O)C21)=O)C Simvastatin to 3'-Hydroxysimvastatin,NA
54454,Simvastatin,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C,Phase I,64718,Simvastatin hydroxy acid,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C>[Phase I]>CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C Simvastatin to Simvastatin hydroxy acid,NA
54454,Simvastatin,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C,Phase I,15925972,6-Exomethylenesimvastatin,CCC(C)(C)C(=O)O[C@H]1CC(=C)C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C>[Phase I]>CCC(C)(C)C(=O)O[C@H]1CC(=C)C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O Simvastatin to 6-Exomethylenesimvastatin,NA
4369359,Sitagliptin,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N,Phase II,169502029,"Sitagliptin metabolite M3 (glucuornidated at an unknown position, assumed a realistic site)",O[C@@H]1[C@H](C(O[C@H](C(O)=O)[C@H]1O)OC(C2=CC(F)=C(C=C2F)F)[C@@H](N)CC(N(C3)CCN4C3=NN=C4C(F)(F)F)=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N>[Phase II]>O[C@@H]1[C@H](C(O[C@H](C(O)=O)[C@H]1O)OC(C2=CC(F)=C(C=C2F)F)[C@@H](N)CC(N(C3)CCN4C3=NN=C4C(F)(F)F)=O)O Sitagliptin to Sitagliptin metabolite M3 (glucuornidated at an unknown position, assumed a realistic site)",NA
4369359,Sitagliptin,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N,Phase I,169501989,"Sitagliptin metabolite M6 (hydroxylated at an unknown position, assumed a realistic one)",FC(F)(F)C1=NN=C2N1CCN(C(C[C@H](N)C(O)C3=CC(F)=C(F)C=C3F)=O)C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N>[Phase I]>FC(F)(F)C1=NN=C2N1CCN(C(C[C@H](N)C(O)C3=CC(F)=C(F)C=C3F)=O)C2 Sitagliptin to Sitagliptin metabolite M6 (hydroxylated at an unknown position, assumed a realistic one)",NA
4369359,Sitagliptin,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N,Phase II,46782925,Sitagliptin-N-sulfate (M1),C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)NS(=O)(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N>[Phase II]>C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)NS(=O)(=O)O Sitagliptin to Sitagliptin-N-sulfate (M1),NA
4369359,Sitagliptin,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N,Phase I,169501898,Sitagliptin metabolite M2 (cis),FC1=CC(F)=C(C=C1C[C@H]2CC(N3CC4=NN=C(C(F)(F)F)N4CC3N2)=O)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N>[Phase I]>FC1=CC(F)=C(C=C1C[C@H]2CC(N3CC4=NN=C(C(F)(F)F)N4CC3N2)=O)F Sitagliptin to Sitagliptin metabolite M2 (cis),NA
4369359,Sitagliptin,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N,Phase I,169501899,Sitagliptin metabolite M5 (trans),FC1=CC(F)=C(C=C1C[C@@H]2CC(N3CC4=NN=C(C(F)(F)F)N4CC3N2)=O)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N>[Phase I]>FC1=CC(F)=C(C=C1C[C@@H]2CC(N3CC4=NN=C(C(F)(F)F)N4CC3N2)=O)F Sitagliptin to Sitagliptin metabolite M5 (trans),NA
4369359,Sitagliptin,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N,Phase I + II,169501872,Sitagliptin metabolite M4 ,O[C@@H]1[C@@H](O)C(OC(=O)N[C@@H](CC(=O)N2CCN3C(C2)=NN=C3C(F)(F)F)CC2=CC(F)=C(F)C=C2F)O[C@@H]([C@H]1O)C(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N>[Phase I + II]>O[C@@H]1[C@@H](O)C(OC(=O)N[C@@H](CC(=O)N2CCN3C(C2)=NN=C3C(F)(F)F)CC2=CC(F)=C(F)C=C2F)O[C@@H]([C@H]1O)C(O)=O Sitagliptin to Sitagliptin metabolite M4 ,NA
4369359,Sitagliptin,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N,Phase I,87621734,Sitagliptin unnamed metabolite,OC(=O)N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC1=CC(F)=C(F)C=C1F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N>[Phase I]>OC(=O)N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC1=CC(F)=C(F)C=C1F Sitagliptin to Sitagliptin unnamed metabolite,NA
10413,Oxybate,C(CC(=O)O)CO,Phase I,150929,"3,4-Dihydroxybutanoic acid",C(C(CO)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C(CC(=O)O)CO>[Phase I]>C(C(CO)O)C(=O)O  Oxybate to 3,4-Dihydroxybutanoic acid",NA
10413,Oxybate,C(CC(=O)O)CO,Phase I,1112,Succinic semialdehyde,C(CC(=O)O)C=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C(CC(=O)O)CO>[Phase I]>C(CC(=O)O)C=O Oxybate to Succinic semialdehyde,NA
10413,Oxybate,C(CC(=O)O)CO,Phase I,1110,Succinic acid,C(CC(=O)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C(CC(=O)O)CO>[Phase I]>C(CC(=O)O)C(=O)O Oxybate to Succinic acid,NA
5780,Sorbitol,C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O,Phase I,79025,Dextrose,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O>[Phase I]>C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O Sorbitol to Dextrose,NA
5833,Spironolactone,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,Phase I,169502156,7α-Sulfonic-spironolactone,C[C@@]12CCC(C=C1C[C@@H](S(O)(=O)=O)[C@@H]3[C@@H]2CC[C@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Varin et al., J. Chromatogr. B, 574(1), 1992",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C>[Phase I]>C[C@@]12CCC(C=C1C[C@@H](S(O)(=O)=O)[C@@H]3[C@@H]2CC[C@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O Spironolactone to 7α-Sulfonic-spironolactone,NA
5833,Spironolactone,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,Phase I,169501841,6β-Hydroxy-7α-thiomethyl-sulfinylspironolactone,C[C@]12CCC(C=C1[C@H](O)[C@@H]([S@@](C)=O)[C@]3([H])[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Varin et al., J. Chromatogr. B, 574(1), 1992",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C>[Phase I]>C[C@]12CCC(C=C1[C@H](O)[C@@H]([S@@](C)=O)[C@]3([H])[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O Spironolactone to 6β-Hydroxy-7α-thiomethyl-sulfinylspironolactone,NA
5833,Spironolactone,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,Phase I,101623290,6β-Hydroxy-7α-thiomethyl-sulfonylspironolactone,C[C@]12CCC(C=C1[C@H](O)[C@@H](S(C)(=O)=O)[C@]3([H])[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Varin et al., J. Chromatogr. B, 574(1), 1992",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C>[Phase I]>C[C@]12CCC(C=C1[C@H](O)[C@@H](S(C)(=O)=O)[C@]3([H])[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O Spironolactone to 6β-Hydroxy-7α-thiomethyl-sulfonylspironolactone,NA
5833,Spironolactone,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,Phase I,169502205,7α-Sulfinic-spironolactone,C[C@@]12CCC(C=C1C[C@@H]([S@@](O)=O)[C@@H]3[C@@H]2CC[C@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Varin et al., J. Chromatogr. B, 574(1), 1992",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C>[Phase I]>C[C@@]12CCC(C=C1C[C@@H]([S@@](O)=O)[C@@H]3[C@@H]2CC[C@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O Spironolactone to 7α-Sulfinic-spironolactone,NA
5833,Spironolactone,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,Phase I,169501780,7α-Methylsulfinyl-spironolactone,C[C@]12CCC(C=C1C[C@@H]([S@@](C)=O)[C@]3([H])[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Varin et al., J. Chromatogr. B, 574(1), 1992",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C>[Phase I]>C[C@]12CCC(C=C1C[C@@H]([S@@](C)=O)[C@]3([H])[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O Spironolactone to 7α-Methylsulfinyl-spironolactone,NA
5833,Spironolactone,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,Phase I,101615259,7α-Methylsulfonyl-spironolactone,C[C@]12CCC(C=C1C[C@@H](S(=O)(C)=O)[C@]3([H])[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Varin et al., J. Chromatogr. B, 574(1), 1992",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C>[Phase I]>C[C@]12CCC(C=C1C[C@@H](S(=O)(C)=O)[C@]3([H])[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O Spironolactone to 7α-Methylsulfonyl-spironolactone,NA
5833,Spironolactone,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,Phase I,656615,Canrenoic acid,C[C@]12CCC(C=C1C=C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)CCC(O)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Varin et al., J. Chromatogr. B, 574(1), 1992",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C>[Phase I]>C[C@]12CCC(C=C1C=C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)CCC(O)=O)=O Spironolactone to Canrenoic acid,NA
5833,Spironolactone,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,Phase I,40580543,6β-Hydroxy-7α-thiomethyl-spironolactone,C[C@]12CCC(C=C1[C@H](O)[C@@H](SC)[C@]3([H])[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Varin et al., J. Chromatogr. B, 574(1), 1992",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C>[Phase I]>C[C@]12CCC(C=C1[C@H](O)[C@@H](SC)[C@]3([H])[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O Spironolactone to 6β-Hydroxy-7α-thiomethyl-spironolactone,NA
5833,Spironolactone,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,Phase I,169502192,7α-Sulfenic-spironolactone,C[C@@]12CCC(C=C1C[C@@H](SO)[C@@H]3[C@@H]2CC[C@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Varin et al., J. Chromatogr. B, 574(1), 1992",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C>[Phase I]>C[C@@]12CCC(C=C1C[C@@H](SO)[C@@H]3[C@@H]2CC[C@]4(C)[C@H]3CC[C@@]45CCC(O5)=O)=O Spironolactone to 7α-Sulfenic-spironolactone,NA
5833,Spironolactone,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,Phase I,13789,Canrenone,C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C>[Phase I]>C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C Spironolactone to Canrenone,NA
5833,Spironolactone,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,Phase I,16733128,3-β-Hydroxythiomethylspironolactone,C[C@]12CC[C@@H](C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)SC)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C>[Phase I]>C[C@]12CC[C@@H](C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)SC)O Spironolactone to 3-β-Hydroxythiomethylspironolactone,NA
5833,Spironolactone,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,Phase I,101923011,3-α-Hydroxythiomethylspironolactone,C[C@]12CC[C@H](C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)SC)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C>[Phase I]>C[C@]12CC[C@H](C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)SC)O Spironolactone to 3-α-Hydroxythiomethylspironolactone,NA
5833,Spironolactone,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,Phase I,154701382,7α-Thiospironolactone,C[C@@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2CC[C@@]4([C@H]3CC[C@@]45CCC(=O)O5)C)S,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C>[Phase I]>C[C@@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2CC[C@@]4([C@H]3CC[C@@]45CCC(=O)O5)C)S Spironolactone to 7α-Thiospironolactone,NA
5833,Spironolactone,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,Phase I,162325,7α-Thiomethylspironolactone,C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)SC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C>[Phase I]>C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)SC Spironolactone to 7α-Thiomethylspironolactone,NA
5329,Sulfamethoxazole,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N,Phase II,65280,N-Acetylsulfamethoxazole,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N>[Phase II]>CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C Sulfamethoxazole to N-Acetylsulfamethoxazole,NA
5329,Sulfamethoxazole,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N,Phase I,114821,Sulfamethoxazole-N4-hydroxylamine,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N>[Phase I]>CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NO Sulfamethoxazole to Sulfamethoxazole-N4-hydroxylamine,NA
5329,Sulfamethoxazole,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N,Phase I,125483,Nitroso-sulfamethoxazole,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N>[Phase I]>CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N=O Sulfamethoxazole to Nitroso-sulfamethoxazole,NA
5329,Sulfamethoxazole,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N,Phase I,10335611,N4-Acetyl-5-OH-sulfamethoxazole,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N>[Phase I]>CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)CO Sulfamethoxazole to N4-Acetyl-5-OH-sulfamethoxazole,NA
5329,Sulfamethoxazole,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N,Phase I,10355717,5-Hydroxysulfamethoxazole,C1=CC(=CC=C1N)S(=O)(=O)NC2=NOC(=C2)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N>[Phase I]>C1=CC(=CC=C1N)S(=O)(=O)NC2=NOC(=C2)CO Sulfamethoxazole to 5-Hydroxysulfamethoxazole,NA
5329,Sulfamethoxazole,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N,Phase II,169501803,Sulfamethoxazole-N1-glucuronide,CC1=CC(NS(=O)(=O)C2=CC=C(NOC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)=NO1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N>[Phase II]>CC1=CC(NS(=O)(=O)C2=CC=C(NOC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)=NO1 Sulfamethoxazole to Sulfamethoxazole-N1-glucuronide,NA
5329,Sulfamethoxazole,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N,Phase I + II,169501995,Sulfamethoxazole-GSH-conjugate,CC1=CC(NS(=O)(=O)C2=CC=C(NS(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C=C2)=NO1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N>[Phase I + II]>CC1=CC(NS(=O)(=O)C2=CC=C(NS(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C=C2)=NO1 Sulfamethoxazole to Sulfamethoxazole-GSH-conjugate,NA
5339,Sulfasalazine,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O,Phase I,4075,5-Aminosalicylic acid (5-ASA),C1=CC(=C(C=C1N)C(=O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O>[Phase I]>C1=CC(=C(C=C1N)C(=O)O)O Sulfasalazine to 5-Aminosalicylic acid (5-ASA),NA
5339,Sulfasalazine,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O,Phase I,5336,Sulfapyridine,O=S(N([H])C1=CC=CC=N1)(C2=CC=C(N)C=C2)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O>[Phase I]>O=S(N([H])C1=CC=CC=N1)(C2=CC=C(N)C=C2)=O Sulfasalazine to Sulfapyridine,NA
5339,Sulfasalazine,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O,Phase I,58638,N4-Acetyl-sulfapyridine,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O>[Phase I]>CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2 Sulfasalazine to N4-Acetyl-sulfapyridine,NA
5339,Sulfasalazine,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O,Phase I,148510,5-Hydroxysulfapyridine,O=S(N(C1=CC=C(O)C=N1)[H])(C2=CC=C(C=C2)N)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O>[Phase I]>O=S(N(C1=CC=C(O)C=N1)[H])(C2=CC=C(C=C2)N)=O Sulfasalazine to 5-Hydroxysulfapyridine,NA
5339,Sulfasalazine,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O,Phase I + II,14389497,Sulfapyridine-glucuronide,O=S(N(C1=CC=C(OC2OC(C(O)=O)C(O)C(O)C2O)C=N1)[H])(C3=CC=C(C=C3)N)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O>[Phase I + II]>O=S(N(C1=CC=C(OC2OC(C(O)=O)C(O)C(O)C2O)C=N1)[H])(C3=CC=C(C=C3)N)=O Sulfasalazine to Sulfapyridine-glucuronide,NA
9838022,Tapentadol,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C,Phase I,71159880,N-Desmethyltapentadol,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CNC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C>[Phase I]>CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CNC Tapentadol to N-Desmethyltapentadol,NA
9838022,Tapentadol,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C,Phase I + II,71315793,N-Desmethyltapentadol-O-glucuronide,CC[C@@H](C1=CC(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[C@@H](C)CNC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C>[Phase I + II]>CC[C@@H](C1=CC(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[C@@H](C)CNC Tapentadol to N-Desmethyltapentadol-O-glucuronide,NA
9838022,Tapentadol,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C,Phase II,71752323,Tapentadol-O-glucuronide,CC[C@@H](C1=CC(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[C@@H](C)CN(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C>[Phase II]>CC[C@@H](C1=CC(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[C@@H](C)CN(C)C Tapentadol to Tapentadol-O-glucuronide,NA
9838022,Tapentadol,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C,Phase II,71752327,Tapentadol-O-sulfate,CC[C@@H](C1=CC(=CC=C1)OS(=O)(=O)O)[C@@H](C)CN(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C>[Phase II]>CC[C@@H](C1=CC(=CC=C1)OS(=O)(=O)O)[C@@H](C)CN(C)C Tapentadol to Tapentadol-O-sulfate,NA
9838022,Tapentadol,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C,Phase I + II,169502059,4-Hydroxytapentadol-glucuronide,CC[C@H]([C@H](CN(C)C)C)C1=CC(O)=CC(OC2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C>[Phase I + II]>CC[C@H]([C@H](CN(C)C)C)C1=CC(O)=CC(OC2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)=C1 Tapentadol to 4-Hydroxytapentadol-glucuronide,NA
9838022,Tapentadol,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C,Phase I,169502269,5-hydroxytapentadol,CC[C@H]([C@H](CN(C)C)C)C1=CC(O)=CC(O)=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C>[Phase I]>CC[C@H]([C@H](CN(C)C)C)C1=CC(O)=CC(O)=C1 Tapentadol to 5-hydroxytapentadol,NA
123630,Tazobactam,C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3,Phase I,10014888,Tazobactam metabolite M1 ,C[C@](S(O)=O)(CN1C=CN=N1)[C@H](C(O)=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3>[Phase I]>C[C@](S(O)=O)(CN1C=CN=N1)[C@H](C(O)=O)N Tazobactam to Tazobactam metabolite M1 ,NA
65999,Telmisartan,CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C,Phase II,16681706,Telmisartan-glucuronide,CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C=C(C=C2C)C6=NC7=CC=CC=C7N6C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C>[Phase II]>CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C=C(C=C2C)C6=NC7=CC=CC=C7N6C Telmisartan to Telmisartan-glucuronide,NA
9574768,Tenofovir Alafenamide,C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3,Phase I,464205,Tenofovir,C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3>[Phase I]>C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O Tenofovir Alafenamide to Tenofovir,NA
9574768,Tenofovir Alafenamide,C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3,Phase I + II,5481180,Tenofovir-diphosphate,C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3>[Phase I + II]>C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O Tenofovir Alafenamide to Tenofovir-diphosphate,NA
9574768,Tenofovir Alafenamide,C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3,Phase I,71040784,Tenofovir alanine,C[C@H](CN1C=NC2=C(N)N=CN=C12)OC[P@@](=O)(N[C@@H](C)C(O)=O)OC1=CC=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3>[Phase I]>C[C@H](CN1C=NC2=C(N)N=CN=C12)OC[P@@](=O)(N[C@@H](C)C(O)=O)OC1=CC=CC=C1 Tenofovir Alafenamide to Tenofovir alanine,NA
9574768,Tenofovir Alafenamide,C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3,Phase I + II,74603628,Tenofovir-monophosphate,CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3>[Phase I + II]>CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)O Tenofovir Alafenamide to Tenofovir-monophosphate,NA
5481350,Tenofovir Disoproxil,C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C,Phase I,464205,Tenofovir,C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C>[Phase I]>C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O Tenofovir Disoproxil to Tenofovir,NA
5481350,Tenofovir Disoproxil,C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C,Phase I + II,5481180,Tenofovir-diphosphate,C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C>[Phase I + II]>C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O Tenofovir Disoproxil to Tenofovir-diphosphate,NA
5481350,Tenofovir Disoproxil,C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C,Phase I + II,74603628,Tenofovir-monophosphate,CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C>[Phase I + II]>CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)O Tenofovir Disoproxil to Tenofovir-monophosphate,NA
1549008,Terbinafine,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21,Phase I + II,74603314,Hydroxyterbinafine-β-D-glucuronide,CC(C)(COC1C(C(C(C(O1)C(=O)O)O)O)O)C#CC=CCN(C)CC2=CC=CC3=CC=CC=C32,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21>[Phase I + II]>CC(C)(COC1C(C(C(C(O1)C(=O)O)O)O)O)C#CC=CCN(C)CC2=CC=CC3=CC=CC=C32 Terbinafine to Hydroxyterbinafine-β-D-glucuronide,NA
1549008,Terbinafine,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21,Phase I,21917707,N-Desmethylhydroxyterbinafine,CC(C)(CO)C#C\C=C\CNCC1=CC=CC2=CC=CC=C12,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21>[Phase I]>CC(C)(CO)C#C\C=C\CNCC1=CC=CC2=CC=CC=C12 Terbinafine to N-Desmethylhydroxyterbinafine,NA
1549008,Terbinafine,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21,Phase I,21917706,Hydroxyterbinafine,CC(C)(CO)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21>[Phase I]>CC(C)(CO)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21 Terbinafine to Hydroxyterbinafine,NA
1549008,Terbinafine,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21,Phase I,169451454,N-Desmethylterbinafine dihydrodiol derivative (2),CC(C)(C)C#C\C=C\CNCC1=CC=CC2=C(O)C(O)=CC=C12,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21>[Phase I]>CC(C)(C)C#C\C=C\CNCC1=CC=CC2=C(O)C(O)=CC=C12 Terbinafine to N-Desmethylterbinafine dihydrodiol derivative (2),NA
1549008,Terbinafine,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21,Phase I,169451461,N-Desmethylterbinafine dihydrodiol derivative (1),CC(C)(C)C#C\C=C\CNCC1=CC(O)=C(O)C2=CC=CC=C12,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21>[Phase I]>CC(C)(C)C#C\C=C\CNCC1=CC(O)=C(O)C2=CC=CC=C12 Terbinafine to N-Desmethylterbinafine dihydrodiol derivative (1),NA
1549008,Terbinafine,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21,Phase I,6443234,Carboxyterbinafine,CC(C)(C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21>[Phase I]>CC(C)(C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21)C(=O)O Terbinafine to Carboxyterbinafine,NA
1549008,Terbinafine,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21,Phase I,169451567,Terbinafine dihydrodiol derivative (2),CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=C(O)C(O)=CC=C12,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21>[Phase I]>CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=C(O)C(O)=CC=C12 Terbinafine to Terbinafine dihydrodiol derivative (2),NA
1549008,Terbinafine,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21,Phase I,169451430,Terbinafine dihydrodiol derivative (1),CN(C\C=C\C#CC(C)(C)C)CC1=CC(O)=C(O)C2=CC=CC=C12,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21>[Phase I]>CN(C\C=C\C#CC(C)(C)C)CC1=CC(O)=C(O)C2=CC=CC=C12 Terbinafine to Terbinafine dihydrodiol derivative (1),NA
1549008,Terbinafine,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21,Phase I,6443233,N-Desmethylterbinafine,CC(C)(C)C#C/C=C/CNCC1=CC=CC2=CC=CC=C21,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21>[Phase I]>CC(C)(C)C#C/C=C/CNCC1=CC=CC2=CC=CC=C21 Terbinafine to N-Desmethylterbinafine,NA
1549008,Terbinafine,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21,Phase I,20908,1-Naphthalenemethanol,C1=CC=C2C(=C1)C=CC=C2CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21>[Phase I]>C1=CC=C2C(=C1)C=CC=C2CO Terbinafine to 1-Naphthalenemethanol,NA
1549008,Terbinafine,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21,Phase I,6847,1-Naphthoic acid,C1=CC=C2C(=C1)C=CC=C2C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21>[Phase I]>C1=CC=C2C(=C1)C=CC=C2C(=O)O Terbinafine to 1-Naphthoic acid,NA
1549008,Terbinafine,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21,Phase I,6195,1-Naphtaldehyde,C1=CC=C2C(=C1)C=CC=C2C=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21>[Phase I]>C1=CC=C2C(=C1)C=CC=C2C=O Terbinafine to 1-Naphtaldehyde,NA
2153,Theophylline,CN1C2=C(C(=O)N(C1=O)C)NC=N2,Phase I,79437,"1,3,7-Trimethyluric acid",CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Kanazama et al., J. Chromatogr. A, 870(1-2), 2000",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN1C2=C(C(=O)N(C1=O)C)NC=N2>[Phase I]>CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C Theophylline to 1,3,7-Trimethyluric acid",NA
2153,Theophylline,CN1C2=C(C(=O)N(C1=O)C)NC=N5,Phase I,69726,1-Methyluric acid,CN1C(=O)C2=C(NC(=O)N2)NC1=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1C2=C(C(=O)N(C1=O)C)NC=N5>[Phase I]>CN1C(=O)C2=C(NC(=O)N2)NC1=O Theophylline to 1-Methyluric acid,NA
2153,Theophylline,CN1C2=C(C(=O)N(C1=O)C)NC=N2,Phase I,70346,"1,3-Dimethyluric acid",CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN1C2=C(C(=O)N(C1=O)C)NC=N2>[Phase I]>CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2 Theophylline to 1,3-Dimethyluric acid",NA
2153,Theophylline,CN1C2=C(C(=O)N(C1=O)C)NC=N3,Phase I,91611,"1,7-Dimethyluric acid",CN1C2=C(NC1=O)NC(=O)N(C2=O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN1C2=C(C(=O)N(C1=O)C)NC=N3>[Phase I]>CN1C2=C(NC1=O)NC(=O)N(C2=O)C Theophylline to 1,7-Dimethyluric acid",NA
2153,Theophylline,CN1C2=C(C(=O)N(C1=O)C)NC=N7,Phase I,70639,3-Methylxanthine,CN1C2=C(C(=O)NC1=O)NC=N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1C2=C(C(=O)N(C1=O)C)NC=N7>[Phase I]>CN1C2=C(C(=O)NC1=O)NC=N2 Theophylline to 3-Methylxanthine,NA
2153,Theophylline,CN1C2=C(C(=O)N(C1=O)C)NC=N9,Phase I,5429,Theobromine,CN1C=NC2=C1C(=O)NC(=O)N2C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Kanazama et al., J. Chromatogr. A, 870(1-2), 2000",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1C2=C(C(=O)N(C1=O)C)NC=N9>[Phase I]>CN1C=NC2=C1C(=O)NC(=O)N2C Theophylline to Theobromine,NA
2153,Theophylline,CN1C2=C(C(=O)N(C1=O)C)NC=N8,Phase I,2519,CAFFEINE,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1C2=C(C(=O)N(C1=O)C)NC=N8>[Phase I]>CN1C=NC2=C1C(=O)N(C(=O)N2C)C Theophylline to CAFFEINE,NA
2153,Theophylline,CN1C2=C(C(=O)N(C1=O)C)NC=N6,Phase I,80220,1-Methylxanthine,CN1C(=O)C2=C(NC1=O)N=CN2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN1C2=C(C(=O)N(C1=O)C)NC=N6>[Phase I]>CN1C(=O)C2=C(NC1=O)N=CN2 Theophylline to 1-Methylxanthine,NA
2153,Theophylline,CN1C2=C(C(=O)N(C1=O)C)NC=N4,Phase I,4687,"1,7-Dimethylxanthine/Paraxanthine",CN1C=NC2=C1C(=O)N(C)C(=O)N2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/; Kanazama et al., J. Chromatogr. A, 870(1-2), 2000",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN1C2=C(C(=O)N(C1=O)C)NC=N4>[Phase I]>CN1C=NC2=C1C(=O)N(C)C(=O)N2 Theophylline to 1,7-Dimethylxanthine/Paraxanthine",NA
9871419,Ticagrelor,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F,Phase I,49846084,Deshydroxyethoxyticagrelor (AR-C124910XX) (M8),CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F>[Phase I]>CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F Ticagrelor to Deshydroxyethoxyticagrelor (AR-C124910XX) (M8),NA
9871419,Ticagrelor,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F,Phase I,78358176,Ticagrelor AR-C133913XX (M5),CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F>[Phase I]>CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N Ticagrelor to Ticagrelor AR-C133913XX (M5),NA
9871419,Ticagrelor,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F,Phase I,169501787,Tricagrelor metabolite M1 (hydroxy group can also be at other position),CCC(O)SC1=NC(N)=C2C(N([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)N=N2)=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F>[Phase I]>CCC(O)SC1=NC(N)=C2C(N([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)N=N2)=N1 Ticagrelor to Tricagrelor metabolite M1 (hydroxy group can also be at other position),NA
9871419,Ticagrelor,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F,Phase I,169501815,Tricagrelor metabolite M10 (hydroxy group can also be at other position),CCCSC1=NC(N[C@@H]2C[C@H]2C3=CC(F)=C(F)C=C3)=C4C(N([C@@H]5C[C@H](OC(O)CO)[C@@H](O)[C@H]5O)N=N4)=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F>[Phase I]>CCCSC1=NC(N[C@@H]2C[C@H]2C3=CC(F)=C(F)C=C3)=C4C(N([C@@H]5C[C@H](OC(O)CO)[C@@H](O)[C@H]5O)N=N4)=N1 Ticagrelor to Tricagrelor metabolite M10 (hydroxy group can also be at other position),NA
9871419,Ticagrelor,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F,Phase I + II,169501829,"Tricagrelor metabolite M4 (glucuronidated M5, glucuronide can also be at other position)",CCCSC1=NC(N)=C2C(N([C@@H]3C[C@H](OCCOC4C(O)C(O)C(O)C(C(O)=O)O4)[C@@H](O)[C@H]3O)N=N2)=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F>[Phase I + II]>CCCSC1=NC(N)=C2C(N([C@@H]3C[C@H](OCCOC4C(O)C(O)C(O)C(C(O)=O)O4)[C@@H](O)[C@H]3O)N=N2)=N1 Ticagrelor to Tricagrelor metabolite M4 (glucuronidated M5, glucuronide can also be at other position)",NA
9871419,Ticagrelor,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F,Phase I + II,169502152,Tricagrelor metabolite M3 (glucuronide can also be at other position),CCCSC1=NC(N)=C2C(N([C@@H]3C[C@H](O)[C@@H](O)[C@H]3OC4C(O)C(O)C(O)C(C(O)=O)O4)N=N2)=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F>[Phase I + II]>CCCSC1=NC(N)=C2C(N([C@@H]3C[C@H](O)[C@@H](O)[C@H]3OC4C(O)C(O)C(O)C(C(O)=O)O4)N=N2)=N1 Ticagrelor to Tricagrelor metabolite M3 (glucuronide can also be at other position),NA
9871419,Ticagrelor,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F,Phase I + II,169502161,Tricagrelor metabolite M6 (glucuronide can also be at other two hydroxys),CCCSC1=NC(N[C@@H]2C[C@H]2C3=CC(F)=C(F)C=C3)=C4C(N([C@@H]5C[C@H](OC6C(O)C(O)C(O)C(C(O)=O)O6)[C@@H](O)[C@H]5O)N=N4)=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F>[Phase I + II]>CCCSC1=NC(N[C@@H]2C[C@H]2C3=CC(F)=C(F)C=C3)=C4C(N([C@@H]5C[C@H](OC6C(O)C(O)C(O)C(C(O)=O)O6)[C@@H](O)[C@H]5O)N=N4)=N1 Ticagrelor to Tricagrelor metabolite M6 (glucuronide can also be at other two hydroxys),NA
9871419,Ticagrelor,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F,Phase I,169502212,Tricagrelor metabolite M2 (hydroxy group can also be at other position),CCCSC1=NC(N)=C2C(N([C@@H]3C[C@H](OC(O)CO)[C@@H](O)[C@H]3O)N=N2)=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F>[Phase I]>CCCSC1=NC(N)=C2C(N([C@@H]3C[C@H](OC(O)CO)[C@@H](O)[C@H]3O)N=N2)=N1 Ticagrelor to Tricagrelor metabolite M2 (hydroxy group can also be at other position),NA
9871419,Ticagrelor,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F,Phase I,169502222,Tricagrelor metabolite M7 (hydroxy group can also be at neighbored carbon),CC(O)CSC1=NC(N[C@@H]2C[C@H]2C3=CC(F)=C(F)C=C3)=C4C(N([C@@H]5C[C@H](O)[C@@H](O)[C@H]5O)N=N4)=N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F>[Phase I]>CC(O)CSC1=NC(N[C@@H]2C[C@H]2C3=CC(F)=C(F)C=C3)=C4C(N([C@@H]5C[C@H](O)[C@@H](O)[C@H]5O)N=N4)=N1 Ticagrelor to Tricagrelor metabolite M7 (hydroxy group can also be at neighbored carbon),NA
9871419,Ticagrelor,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F,Phase II,169502256,Tricagrelor metabolite M9,OC(C(C(C(O1)C(O)=O)O)O)C1OCCO[C@H]([C@@H](O)[C@H]2O)C[C@H]2N3C4=NC(SCCC)=NC(N[C@@H]5C[C@H]5C6=CC(F)=C(F)C=C6)=C4N=N3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F>[Phase II]>OC(C(C(C(O1)C(O)=O)O)O)C1OCCO[C@H]([C@@H](O)[C@H]2O)C[C@H]2N3C4=NC(SCCC)=NC(N[C@@H]5C[C@H]5C6=CC(F)=C(F)C=C6)=C4N=N3 Ticagrelor to Tricagrelor metabolite M9,NA
5511,Tolperisone,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2,Phase I,169501894,Tolperisone metabolite M2,OC(C(CN1CCCCC1)C)C2=CC=C(CO)C=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2>[Phase I]>OC(C(CN1CCCCC1)C)C2=CC=C(CO)C=C2 Tolperisone to Tolperisone metabolite M2,NA
5511,Tolperisone,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2,Phase I,71748883,Tolperisone metabolite M1,CC(CN1CCCCC1)C(C(C=C2)=CC=C2CO)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Quasthoff et al., CNS Neurosci. Ther., 14(2), 2008",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2>[Phase I]>CC(CN1CCCCC1)C(C(C=C2)=CC=C2CO)=O Tolperisone to Tolperisone metabolite M1,NA
5511,Tolperisone,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2,Phase I,85861296,Tolperisone metabolite M4/M5,OC(C(CN1CCCCC1)C)C2=CC=C(C(O)=O)C=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2>[Phase I]>OC(C(CN1CCCCC1)C)C2=CC=C(C(O)=O)C=C2 Tolperisone to Tolperisone metabolite M4/M5,NA
5511,Tolperisone,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2,Phase I,71752612,Tolperisone metabolite M3,O=C(C(CN1CCCCC1)C)C2=CC=C(C(O)=O)C=C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2>[Phase I]>O=C(C(CN1CCCCC1)C)C2=CC=C(C(O)=O)C=C2 Tolperisone to Tolperisone metabolite M3,NA
5511,Tolperisone,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2,Phase I,121335,Tolperisone metabolite,CC1=CC=C(C(O)C(CN2CCCCC2)C)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2>[Phase I]>CC1=CC=C(C(O)C(CN2CCCCC2)C)C=C1 Tolperisone to Tolperisone metabolite,NA
5511,Tolperisone,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2,Phase I,10377983,Tolperisone metabolite M1',CC1=CC=C(C(C(CN2CCCCC2)C)=O)C=C1O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2>[Phase I]>CC1=CC=C(C(C(CN2CCCCC2)C)=O)C=C1O Tolperisone to Tolperisone metabolite M1',NA
5284627,Topiramate,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C,Phase I,10626041,"4,5-Desisopropylidenetopiramate",CC1(O[C@H]2[C@@H]([C@@H](CO[C@]2(O1)COS(=O)(=O)N)O)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C>[Phase I]>CC1(O[C@H]2[C@@H]([C@@H](CO[C@]2(O1)COS(=O)(=O)N)O)O)C Topiramate to 4,5-Desisopropylidenetopiramate",NA
5284627,Topiramate,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C,Phase I,29977351,"2,3-Desisopropylidenetopiramate",CC1(O[C@@H]2CO[C@@]([C@H]([C@@H]2O1)O)(COS(=O)(=O)N)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C>[Phase I]>CC1(O[C@@H]2CO[C@@]([C@H]([C@@H]2O1)O)(COS(=O)(=O)N)O)C Topiramate to 2,3-Desisopropylidenetopiramate",NA
5284627,Topiramate,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C,Phase I,169502028,Topiramate metabolite M3,CC(O1)(CO)O[C@@H]([C@@H]2O3)[C@@]1(COS(=O)(N)=O)OC[C@H]2OC3(C)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C>[Phase I]>CC(O1)(CO)O[C@@H]([C@@H]2O3)[C@@]1(COS(=O)(N)=O)OC[C@H]2OC3(C)CO Topiramate to Topiramate metabolite M3,NA
5284627,Topiramate,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C,Phase I,22213760,Topiramate metabolite M6,O[C@H]1[C@@H](O)[C@H](OC(C)(C)O2)[C@@]2(CO)OC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C>[Phase I]>O[C@H]1[C@@H](O)[C@H](OC(C)(C)O2)[C@@]2(CO)OC1 Topiramate to Topiramate metabolite M6,NA
5284627,Topiramate,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C,Phase I,169501800,Topiramate metabolite M1,CC(O1)(C)O[C@H]2[C@@H]1C(OC(C)(O)CO3)C3(CS(=O)(N)=O)OC2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C>[Phase I]>CC(O1)(C)O[C@H]2[C@@H]1C(OC(C)(O)CO3)C3(CS(=O)(N)=O)OC2 Topiramate to Topiramate metabolite M1,NA
5284627,Topiramate,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C,Phase I,29982168,9-Hydroxytopiramate,C[C@]1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C>[Phase I]>C[C@]1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)CO Topiramate to 9-Hydroxytopiramate,NA
5284627,Topiramate,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C,Phase I,29982171,10-Hydroxytopiramate,C[C@@]1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C>[Phase I]>C[C@@]1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)CO Topiramate to 10-Hydroxytopiramate,NA
41781,Torasemide,CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C,Phase I,14475217,Torasemide metabolite M1 (hydroxytorsemide),CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)CO,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C>[Phase I]>CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)CO Torasemide to Torasemide metabolite M1 (hydroxytorsemide),NA
41781,Torasemide,CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C,Phase I,169501914,Torasemide metabolite M4,CC(CO)NC(=O)NS(=O)(=O)C1=C(NC2=CC=CC(C)=C2)C=CN=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C>[Phase I]>CC(CO)NC(=O)NS(=O)(=O)C1=C(NC2=CC=CC(C)=C2)C=CN=C1 Torasemide to Torasemide metabolite M4,NA
41781,Torasemide,CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C,Phase I,86141019,Torasemide metabolite M2,CC1=CC(NC2=C(C=NC=C2)S(=O)(=O)NC(N)=O)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C>[Phase I]>CC1=CC(NC2=C(C=NC=C2)S(=O)(=O)NC(N)=O)=CC=C1 Torasemide to Torasemide metabolite M2,NA
41781,Torasemide,CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C,Phase I,14475218,Torasemide metabolite M5 (Torasemide Carboxylic Acid),CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C>[Phase I]>CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C(=O)O Torasemide to Torasemide metabolite M5 (Torasemide Carboxylic Acid),NA
41781,Torasemide,CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C,Phase I,23656876,Torasemide metabolite M3 (4'-Hydroxy Torasemide),CC1=C(C=CC(=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C>[Phase I]>CC1=C(C=CC(=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C)O Torasemide to Torasemide metabolite M3 (4'-Hydroxy Torasemide),NA
33741,Tramadol,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O,Phase I + II,74600257,O-Desmethyltramadol-glucuronide,CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O>[Phase I + II]>CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O)O Tramadol to O-Desmethyltramadol-glucuronide,NA
33741,Tramadol,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O,Phase I,10220107,"N,N,O-tridesmethyltramadol",C1CC[C@@]([C@H](C1)CN)(C2=CC(=CC=C2)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O>[Phase I]>C1CC[C@@]([C@H](C1)CN)(C2=CC(=CC=C2)O)O Tramadol to N,N,O-tridesmethyltramadol",NA
33741,Tramadol,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O,Phase I,3056578,"N,N-Didesmethyltramadol",COC1=CC=CC(=C1)C2(CCCCC2CN)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O>[Phase I]>COC1=CC=CC(=C1)C2(CCCCC2CN)O Tramadol to N,N-Didesmethyltramadol",NA
33741,Tramadol,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O,Phase I,9816106,"N,O-Didesmethyltramadol",CNC[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O>[Phase I]>CNC[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)O)O Tramadol to N,O-Didesmethyltramadol",NA
33741,Tramadol,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O,Phase I,9838803,O-Desmethyltramadol,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O>[Phase I]>CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)O)O Tramadol to O-Desmethyltramadol,NA
33741,Tramadol,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O,Phase I,198555,N-Desmethyltramadol,CNCC1CCCCC1(O)C1=CC(OC)=CC=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O>[Phase I]>CNCC1CCCCC1(O)C1=CC(OC)=CC=C1 Tramadol to N-Desmethyltramadol,NA
33741,Tramadol,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O,Phase I,9861699,Tramadol-N-oxide,C[N+](C)(C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O>[Phase I]>C[N+](C)(C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O)[O-] Tramadol to Tramadol-N-oxide,NA
5526,Tranexamic Acid,C1CC(CCC1CN)C(=O)O,Phase I,12616198,Tranexamic dicarboxylic acid,NCC1CCC(C(O)=O)C(C(O)=O)C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC(CCC1CN)C(=O)O>[Phase I]>NCC1CCC(C(O)=O)C(C(O)=O)C1 Tranexamic Acid to Tranexamic dicarboxylic acid,NA
5526,Tranexamic Acid,C1CC(CCC1CN)C(=O)O,Phase I,82653,Tranexamic acid acetyl metabolite,O=C(O)C1CCC(CNC(C)=O)CC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC(CCC1CN)C(=O)O>[Phase I]>O=C(O)C1CCC(CNC(C)=O)CC1 Tranexamic Acid to Tranexamic acid acetyl metabolite,NA
5533,Trazodone,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl,Phase I,169501921,Triazolopyridinone dihydrodiol,O=C(N1C=CC(O)C(O)C1=N2)N2CCCN3CCN(C4=CC(Cl)=CC=C4)CC3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl>[Phase I]>O=C(N1C=CC(O)C(O)C1=N2)N2CCCN3CCN(C4=CC(Cl)=CC=C4)CC3 Trazodone to Triazolopyridinone dihydrodiol,NA
5533,Trazodone,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl,Phase I + II,46781918,4'-Hydroxytrazodone-β-D-glucuronide,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=C(C=C4)O[C@@H]5[C@@H]([C@@H]([C@H](C(O5)C(=O)O)O)O)O)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl>[Phase I + II]>C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=C(C=C4)O[C@@H]5[C@@H]([C@@H]([C@H](C(O5)C(=O)O)O)O)O)Cl Trazodone to 4'-Hydroxytrazodone-β-D-glucuronide,NA
5533,Trazodone,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl,Phase I,131770015,Triazolopyridinone epoxide,C1CN(CCN1CCCN2C(=O)N3C=CC4C(C3=N2)O4)C5=CC(=CC=C5)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl>[Phase I]>C1CN(CCN1CCCN2C(=O)N3C=CC4C(C3=N2)O4)C5=CC(=CC=C5)Cl Trazodone to Triazolopyridinone epoxide,NA
5533,Trazodone,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl,Phase I,1355,m-Chlorophenylpiperazine (m-CPP) ,C1CN(CCN1)C2=CC(=CC=C2)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl>[Phase I]>C1CN(CCN1)C2=CC(=CC=C2)Cl Trazodone to m-Chlorophenylpiperazine (m-CPP) ,NA
5533,Trazodone,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl,Phase I,46781917,4'-Hydroxytrazodone,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=C(C=C4)O)Cl,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl>[Phase I]>C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=C(C=C4)O)Cl Trazodone to 4'-Hydroxytrazodone,NA
5533,Trazodone,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl,Phase I,58589368,Triazolopropionic aldehyde,O=C(N1C=CC=CC1=N2)N2CCC=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Wen et al., Drug Metab. Dispos., 36(5), 2008",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl>[Phase I]>O=C(N1C=CC=CC1=N2)N2CCC=O Trazodone to Triazolopropionic aldehyde,NA
5578,Trimethoprim,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,Phase I,10423570,4-Desmethyltrimethoprim,COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N>[Phase I]>COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1O Trimethoprim to 4-Desmethyltrimethoprim,NA
5578,Trimethoprim,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,Phase I,12849769,3-Desmethyltrimethoprim,COC1=CC(=CC(=C1OC)O)CC2=CN=C(N=C2N)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N>[Phase I]>COC1=CC(=CC(=C1OC)O)CC2=CN=C(N=C2N)N Trimethoprim to 3-Desmethyltrimethoprim,NA
5578,Trimethoprim,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,Phase I,23278278,Trimethoprim-1-N-oxide,COC1=CC(CC2=CN=C(N)[N+]([O-])=C2N)=CC(OC)=C1OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N>[Phase I]>COC1=CC(CC2=CN=C(N)[N+]([O-])=C2N)=CC(OC)=C1OC Trimethoprim to Trimethoprim-1-N-oxide,NA
5578,Trimethoprim,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,Phase I,23278278,Trimethoprim-3-N-oxide,COC1=CC(CC2=C[N+]([O-])=C(N)N=C2N)=CC(OC)=C1OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N>[Phase I]>COC1=CC(CC2=C[N+]([O-])=C(N)N=C2N)=CC(OC)=C1OC Trimethoprim to Trimethoprim-3-N-oxide,NA
5578,Trimethoprim,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,Phase I,44362947,Cα-Hydroxytrimethoprom,COC1=CC(=CC(OC)=C1OC)C(O)C1=CN=C(N)N=C1N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N>[Phase I]>COC1=CC(=CC(OC)=C1OC)C(O)C1=CN=C(N)N=C1N Trimethoprim to Cα-Hydroxytrimethoprom,NA
5578,Trimethoprim,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,Phase I,169502215,Cα-NAC-trimethoprim,COC1=CC(C(C(N[C@H](C(O)=O)CS)=O)C2=CN=C(N=C2N)N)=CC(OC)=C1OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,IBRUTINIB ,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N>[Phase I]>COC1=CC(C(C(N[C@H](C(O)=O)CS)=O)C2=CN=C(N=C2N)N)=CC(OC)=C1OC Trimethoprim to Cα-NAC-trimethoprim,NA
5584,Trimipramine,CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C,Phase I,53462006,2-Hydroxy-N-desmethyltrimipramine,CC(CNC)CN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C>[Phase I]>CC(CNC)CN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O Trimipramine to 2-Hydroxy-N-desmethyltrimipramine,NA
5584,Trimipramine,CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C,Phase I,190931,"2,10-Dihydroxytrimipramine",CC(CN1C2=C(CC(C3=CC=CC=C31)O)C=C(C=C2)O)CN(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C>[Phase I]>CC(CN1C2=C(CC(C3=CC=CC=C31)O)C=C(C=C2)O)CN(C)C Trimipramine to 2,10-Dihydroxytrimipramine",NA
5584,Trimipramine,CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C,Phase I,190932,"2,11-Dihydroxytrimipramine",CC(CN1C2=C(C=C(C=C2)O)C(CC3=CC=CC=C31)O)CN(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C>[Phase I]>CC(CN1C2=C(C=C(C=C2)O)C(CC3=CC=CC=C31)O)CN(C)C Trimipramine to 2,11-Dihydroxytrimipramine",NA
5584,Trimipramine,CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C,Phase I,160610,2-Hydroxytrimipramine,CC(CN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O)CN(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C>[Phase I]>CC(CN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O)CN(C)C Trimipramine to 2-Hydroxytrimipramine,NA
5584,Trimipramine,CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C,Phase I,160632,N-Desmethyltrimipramine,CC(CNC)CN1C2=CC=CC=C2CCC3=CC=CC=C31,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C>[Phase I]>CC(CNC)CN1C2=CC=CC=C2CCC3=CC=CC=C31 Trimipramine to N-Desmethyltrimipramine,NA
5584,Trimipramine,CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C,Phase I,14151360,Trimipramine-N-oxide,CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)C[N+](C)(C)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Haenisch et al., Psychopharmacology, 217, 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C>[Phase I]>CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)C[N+](C)(C)[O-] Trimipramine to Trimipramine-N-oxide,NA
5284632,Trospium,C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O,Phase I + II,169502145,Azoniaspironortropanol-glucuronide,O[C@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)[C@@H]1OC(C2)C[C@@H]3CC[C@H]2[N+]43CCCC4,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O>[Phase I + II]>O[C@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)[C@@H]1OC(C2)C[C@@H]3CC[C@H]2[N+]43CCCC4 Trospium to Azoniaspironortropanol-glucuronide,NA
5284632,Trospium,C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O,Phase I,72941454,Azoniaspironortropanol,C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O>[Phase I]>C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)O Trospium to Azoniaspironortropanol,NA
5284632,Trospium,C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O,Phase I + II,169501848,"2-Hydroxy-2,2-diphenylacetic acid-glucuronide",O=C(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)C(C2=CC=CC=C2)(O)C3=CC=CC=C3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O>[Phase I + II]>O=C(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)C(C2=CC=CC=C2)(O)C3=CC=CC=C3 Trospium to 2-Hydroxy-2,2-diphenylacetic acid-glucuronide",NA
5284632,Trospium,C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O,Phase I,6463,"2-Hydroxy-2,2-diphenylacetic acid",OC(C(C1=CC=CC=C1)(O)C2=CC=CC=C2)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O>[Phase I]>OC(C(C1=CC=CC=C1)(O)C2=CC=CC=C2)=O Trospium to 2-Hydroxy-2,2-diphenylacetic acid",NA
31401,Ursodeoxycholic Acid,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,Phase I,9848818,Ursodeoxycholic acid-taurin/Tauroursodeoxycholic acid,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C>[Phase I]>C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C Ursodeoxycholic Acid to Ursodeoxycholic acid-taurin/Tauroursodeoxycholic acid,NA
31401,Ursodeoxycholic Acid,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,Phase II,21252318,Ursodeoxycholic acid 3-sulfate,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](CC4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C>[Phase II]>C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](CC4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)O)C Ursodeoxycholic Acid to Ursodeoxycholic acid 3-sulfate,NA
31401,Ursodeoxycholic Acid,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,Phase II,101680022,Ursodeoxycholic acid 3-glucuronide,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C>[Phase II]>C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)C Ursodeoxycholic Acid to Ursodeoxycholic acid 3-glucuronide,NA
31401,Ursodeoxycholic Acid,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,Phase II,12310288,Ursodeoxycholic acid-glycin/Glycoursodeoxycholic acid,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C>[Phase II]>C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C Ursodeoxycholic Acid to Ursodeoxycholic acid-glycin/Glycoursodeoxycholic acid,NA
31401,Ursodeoxycholic Acid,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,Phase I,3080612,12-Ketolithocholic acid,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C>[Phase I]>C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C Ursodeoxycholic Acid to 12-Ketolithocholic acid,NA
31401,Ursodeoxycholic Acid,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,Phase I,9903,Lithocholic acid,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C>[Phase I]>C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C Ursodeoxycholic Acid to Lithocholic acid,NA
135398742,Valaciclovir,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N,Phase I,6287,L-Valine,CC(C)[C@@H](C(=O)O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N>[Phase I]>CC(C)[C@@H](C(=O)O)N Valaciclovir to L-Valine,NA
135398742,Valaciclovir,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N,0,135398513,Acyclovir,C1=NC2=C(N1COCCO)N=C(NC2=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N>[0]>C1=NC2=C(N1COCCO)N=C(NC2=O)N Valaciclovir to Acyclovir,NA
135398742,Valaciclovir,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N,"Phase II, Phase I + II",135405018,Acyclovir-triphosphate,O=P(OP(O)(OP(O)(O)=O)=O)(O)OCCOCN1C(N=C(N)NC2=O)=C2N=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N>[Phase II, Phase I + II]>O=P(OP(O)(OP(O)(O)=O)=O)(O)OCCOCN1C(N=C(N)NC2=O)=C2N=C1 Valaciclovir to Acyclovir-triphosphate",NA
135398742,Valaciclovir,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N,"Phase II, Phase I + II",135422933,Acyclovir-monophosphate,C1=NC2=C(N1COCCOP(=O)(O)O)N=C(NC2=O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N>[Phase II, Phase I + II]>C1=NC2=C(N1COCCOP(=O)(O)O)N=C(NC2=O)N Valaciclovir to Acyclovir-monophosphate",NA
135398742,Valaciclovir,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N,"Phase II, Phase I + II",135434163,Acyclovir-diphosphate,O=P(OP(O)(O)=O)(O)OCCOCN1C(N=C(N)NC2=O)=C2N=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N>[Phase II, Phase I + II]>O=P(OP(O)(O)=O)(O)OCCOCN1C(N=C(N)NC2=O)=C2N=C1 Valaciclovir to Acyclovir-diphosphate",NA
135398742,Valaciclovir,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N,Phase I,135530051,8-Hydroxyacyclovir (8-OH-ACV),C(COCN1C2=C(C(=O)NC(=N2)N)NC1=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N>[Phase I]>C(COCN1C2=C(C(=O)NC(=N2)N)NC1=O)O Valaciclovir to 8-Hydroxyacyclovir (8-OH-ACV),NA
135398742,Valaciclovir,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N,Phase I,137242494,9-(Carboxymethoxy)methylguanin (CMMG),CNC1=NC2=C(C(=O)N1)N=CN2OCC(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Compendium, https://compendium.ch/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N>[Phase I]>CNC1=NC2=C(C(=O)N1)N=CN2OCC(=O)O Valaciclovir to 9-(Carboxymethoxy)methylguanin (CMMG),NA
3121,Valproic Acid,CCCC(CCC)C(=O)O,Phase II,131769983,Valproic acid-CoA,CCCC(CCC)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1[C@@H]([C@@H]([C@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC(CCC)C(=O)O>[Phase II]>CCCC(CCC)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1[C@@H]([C@@H]([C@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O Valproic Acid to Valproic acid-CoA,NA
3121,Valproic Acid,CCCC(CCC)C(=O)O,Phase II,88111,Valproic acid-β-O-glucuronide,CCCC(CCC)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC(CCC)C(=O)O>[Phase II]>CCCC(CCC)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O Valproic Acid to Valproic acid-β-O-glucuronide,NA
3121,Valproic Acid,CCCC(CCC)C(=O)O,Phase I,3031829,2-Propylsuccinic acid,CCCC(CC(=O)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC(CCC)C(=O)O>[Phase I]>CCCC(CC(=O)O)C(=O)O Valproic Acid to 2-Propylsuccinic acid,NA
3121,Valproic Acid,CCCC(CCC)C(=O)O,Phase I,134467,4-Hydroxyvalproic acid,CCCC(CC(C)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC(CCC)C(=O)O>[Phase I]>CCCC(CC(C)O)C(=O)O Valproic Acid to 4-Hydroxyvalproic acid,NA
3121,Valproic Acid,CCCC(CCC)C(=O)O,Phase I,135244,5-Hydroxyvalproic acid,CCCC(CCCO)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC(CCC)C(=O)O>[Phase I]>CCCC(CCCO)C(=O)O Valproic Acid to 5-Hydroxyvalproic acid,NA
3121,Valproic Acid,CCCC(CCC)C(=O)O,Phase I,3731686,2-n-Propyl-4-oxopentanoic acid,CCCC(CC(=O)C)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC(CCC)C(=O)O>[Phase I]>CCCC(CC(=O)C)C(=O)O Valproic Acid to 2-n-Propyl-4-oxopentanoic acid,NA
3121,Valproic Acid,CCCC(CCC)C(=O)O,Phase I,134970,2-Propylglutaric acid,CCCC(CCC(=O)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC(CCC)C(=O)O>[Phase I]>CCCC(CCC(=O)O)C(=O)O Valproic Acid to 2-Propylglutaric acid,NA
3121,Valproic Acid,CCCC(CCC)C(=O)O,Phase I,134459,3-Hydroxyvalproic acid,CCCC(C(CC)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC(CCC)C(=O)O>[Phase I]>CCCC(C(CC)O)C(=O)O Valproic Acid to 3-Hydroxyvalproic acid,NA
3121,Valproic Acid,CCCC(CCC)C(=O)O,Phase I,173719,3-Oxovalproic acid,CCCC(C(=O)CC)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC(CCC)C(=O)O>[Phase I]>CCCC(C(=O)CC)C(=O)O Valproic Acid to 3-Oxovalproic acid,NA
3121,Valproic Acid,CCCC(CCC)C(=O)O,Phase I,6441809,"2,4-Diene-valproic acid",CCC/C(=C\C=C)/C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCCC(CCC)C(=O)O>[Phase I]>CCC/C(=C\C=C)/C(=O)O Valproic Acid to 2,4-Diene-valproic acid",NA
3121,Valproic Acid,CCCC(CCC)C(=O)O,Phase I,6439747,(3E)-2-Propylpent-3-enoic acid (3E-Ene-VPA),CCCC(/C=C/C)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC(CCC)C(=O)O>[Phase I]>CCCC(/C=C/C)C(=O)O Valproic Acid to (3E)-2-Propylpent-3-enoic acid (3E-Ene-VPA),NA
3121,Valproic Acid,CCCC(CCC)C(=O)O,Phase I,24892812,(3Z)-2-Propylpent-3-enoic acid (3Z-Ene-VPA),CCCC(/C=C\C)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC(CCC)C(=O)O>[Phase I]>CCCC(/C=C\C)C(=O)O Valproic Acid to (3Z)-2-Propylpent-3-enoic acid (3Z-Ene-VPA),NA
3121,Valproic Acid,CCCC(CCC)C(=O)O,Phase I,104896,4-ene-Valproic acid,CCCC(CC=C)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC(CCC)C(=O)O>[Phase I]>CCCC(CC=C)C(=O)O Valproic Acid to 4-ene-Valproic acid,NA
3121,Valproic Acid,CCCC(CCC)C(=O)O,Phase I,6437068,2-ene-Valproic acid,CCC/C(=C\CC)/C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCC(CCC)C(=O)O>[Phase I]>CCC/C(=C\CC)/C(=O)O Valproic Acid to 2-ene-Valproic acid,NA
60846,Valsartan,CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O,Phase I,19388302,Valsartan acid,C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O>[Phase I]>C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3 Valsartan to Valsartan acid,NA
60846,Valsartan,CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O,Phase I,9911647,Valeryl-4-hydroxyvalsartan,CC(C)[C@@H](C(=O)O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(=O)CCC(C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O>[Phase I]>CC(C)[C@@H](C(=O)O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(=O)CCC(C)O Valsartan to Valeryl-4-hydroxyvalsartan,NA
60846,Valsartan,CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O,Phase I,169501834,"(2S,3S)-2-(N-((2'-(2H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-4-hydroxy-3-methylbutanoic acid",CCCCC(N([C@H](C(O)=O)[C@H](C)CO)CC1=CC=C(C2=CC=CC=C2C3=NNN=N3)C=C1)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O>[Phase I]>CCCCC(N([C@H](C(O)=O)[C@H](C)CO)CC1=CC=C(C2=CC=CC=C2C3=NNN=N3)C=C1)=O Valsartan to (2S,3S)-2-(N-((2'-(2H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-4-hydroxy-3-methylbutanoic acid",NA
5656,Venlafaxine,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,Phase I + II,71316024,O-Desmethylvenlafaxine-glucuronide,C1CCC(CC1)(C(CN)C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O>[Phase I + II]>C1CCC(CC1)(C(CN)C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O Venlafaxine to O-Desmethylvenlafaxine-glucuronide,NA
5656,Venlafaxine,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,Phase I + II,71316036,"N,O-Didesmethylvenlafaxine-glucuronide",CNCC(C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C3(CCCCC3)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O>[Phase I + II]>CNCC(C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C3(CCCCC3)O Venlafaxine to N,O-Didesmethylvenlafaxine-glucuronide",NA
5656,Venlafaxine,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,Phase I,9859500,"N,N,O-Tridesmethylvenlafaxine",C1CCC(CC1)(C(CN)C2=CC=C(C=C2)O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O>[Phase I]>C1CCC(CC1)(C(CN)C2=CC=C(C=C2)O)O Venlafaxine to N,N,O-Tridesmethylvenlafaxine",NA
5656,Venlafaxine,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,Phase I,9795857,"N,N-Didesmethylvenlafaxine",COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O>[Phase I]>COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O Venlafaxine to N,N-Didesmethylvenlafaxine",NA
5656,Venlafaxine,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,Phase I,3451347,"N,O-Didesmethylvenlafaxine",CNCC(C1=CC=C(C=C1)O)C2(CCCCC2)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,"CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O>[Phase I]>CNCC(C1=CC=C(C=C1)O)C2(CCCCC2)O Venlafaxine to N,O-Didesmethylvenlafaxine",NA
5656,Venlafaxine,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,Phase I,125017,O-Desmethylvenlafaxine,CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O>[Phase I]>CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O Venlafaxine to O-Desmethylvenlafaxine,NA
5656,Venlafaxine,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,Phase I,3501942,N-Desmethylvenlafaxine,CNCC(C1=CC=C(OC)C=C1)C1(O)CCCCC1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O>[Phase I]>CNCC(C1=CC=C(OC)C=C1)C1(O)CCCCC1 Venlafaxine to N-Desmethylvenlafaxine,NA
5656,Venlafaxine,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,Phase I,76559643,Venlafaxine-N-Oxide,C[N+](C)(CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O)[O-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838",From internal database,10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O>[Phase I]>C[N+](C)(CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O)[O-] Venlafaxine to Venlafaxine-N-Oxide,NA
2520,Verapamil,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC,Phase I,161569,Verapamil metabolite D-620,CC(C)C(CCCN)(C#N)C1=CC(=C(C=C1)OC)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC>[Phase I]>CC(C)C(CCCN)(C#N)C1=CC(=C(C=C1)OC)OC Verapamil to Verapamil metabolite D-620,NA
2520,Verapamil,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC,Phase I,10016311,Verapamil metabolite PR-25,CNCCCC(C#N)(C(C)C)C1=CC(OC)=C(O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC>[Phase I]>CNCCCC(C#N)(C(C)C)C1=CC(OC)=C(O)C=C1 Verapamil to Verapamil metabolite PR-25,NA
2520,Verapamil,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC,Phase I,93168,Verapamil metabolite D-617,CC(C)C(CCCNC)(C#N)C1=CC(=C(C=C1)OC)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC>[Phase I]>CC(C)C(CCCNC)(C#N)C1=CC(=C(C=C1)OC)OC Verapamil to Verapamil metabolite D-617,NA
2520,Verapamil,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC,Phase I,169502176,Darunavir metabolite/Verapamil metabolite D-715/PR-22,COC1=C(O)C=C(C=C1)C(CCCNCCC1=CC(OC)=C(OC)C=C1)(C#N)C(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC>[Phase I]>COC1=C(O)C=C(C=C1)C(CCCNCCC1=CC(OC)=C(OC)C=C1)(C#N)C(C)C Verapamil to Darunavir metabolite/Verapamil metabolite D-715/PR-22,NA
2520,Verapamil,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC,Phase I,625729,O-Desmethylverapamil (D-703),COC1=C(O)C=CC(=C1)C(CCCN(C)CCC1=CC(OC)=C(OC)C=C1)(C#N)C(C)C,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC>[Phase I]>COC1=C(O)C=CC(=C1)C(CCCN(C)CCC1=CC(OC)=C(OC)C=C1)(C#N)C(C)C Verapamil to O-Desmethylverapamil (D-703),NA
2520,Verapamil,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC,Phase I,131750721,O-Desmethylverapamil (D-702),CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C=C2)OC)OC,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC>[Phase I]>CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C=C2)OC)OC Verapamil to O-Desmethylverapamil (D-702),NA
2520,Verapamil,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC,Phase I,104972,Norverapamil,COC1=C(OC)C=C(CCNCCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC>[Phase I]>COC1=C(OC)C=C(CCNCCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1 Verapamil to Norverapamil,NA
5665,Vigabatrin,C=CC(CCC(=O)O)N,Phase I,24150,5-Ethenyl-2-pyrrolidinone,C=CC1CCC(=O)N1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Durham et al., Drug Metab. Dispos., 21(3), 1993",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C=CC(CCC(=O)O)N>[Phase I]>C=CC1CCC(=O)N1 Vigabatrin to 5-Ethenyl-2-pyrrolidinone,NA
6918537,Vildagliptin,C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N,Phase I,169502010,Vildagliptin metabolite M20.9 ,[H][C@@]1(C#N)C(O)C(O)CN1C(=O)CNC12CC3([H])CC([H])(CC(O)(C3)C1)C2,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N>[Phase I]>[H][C@@]1(C#N)C(O)C(O)CN1C(=O)CNC12CC3([H])CC([H])(CC(O)(C3)C1)C2 Vildagliptin to Vildagliptin metabolite M20.9 ,NA
6918537,Vildagliptin,C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N,Phase II,71752941,Vildagliptin-glucuronide,C1C[C@H](N(C1)C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C#N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N>[Phase II]>C1C[C@H](N(C1)C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C#N Vildagliptin to Vildagliptin-glucuronide,NA
6918537,Vildagliptin,C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N,Phase I,133587905,Vildagliptin metabolite M20.2,C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)OC5C(C(C(C(O5)C(=O)O)O)O)O)C#N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N>[Phase I]>C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)OC5C(C(C(C(O5)C(=O)O)O)O)O)C#N Vildagliptin to Vildagliptin metabolite M20.2,NA
6918537,Vildagliptin,C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N,Phase I,156028071,Vildagliptin metabolite M21.6 ,[H]C12CC3([H])CC(O)(C1)CC(C2)(C3)NCC(=O)NCCCC(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N>[Phase I]>[H]C12CC3([H])CC(O)(C1)CC(C2)(C3)NCC(=O)NCCCC(O)=O Vildagliptin to Vildagliptin metabolite M21.6 ,NA
6918537,Vildagliptin,C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N,Phase I,46783242,Vildagliptin carboxylic acid (M20.7),C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C(=O)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N>[Phase I]>C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C(=O)O Vildagliptin to Vildagliptin carboxylic acid (M20.7),NA
6918537,Vildagliptin,C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N,Phase I,60198109,Vildagliptin metabolite M15.3,[H]C12CC3([H])CC(O)(C1)CC(C2)(C3)NCC(O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N>[Phase I]>[H]C12CC3([H])CC(O)(C1)CC(C2)(C3)NCC(O)=O Vildagliptin to Vildagliptin metabolite M15.3,NA
35370,Zidovudine,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-],Phase II,65374,Zidovudine-monophosphate (AZT-MP),CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)C(NC1=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Horta Andrade et al., Braz. J. Pharm. Sci., 47(2), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]>[Phase II]>CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)C(NC1=O)=O Zidovudine to Zidovudine-monophosphate (AZT-MP),NA
35370,Zidovudine,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-],Phase II,72187,Zidovudine-triphosphate (AZT-TP),CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(OP(O)(OP(O)(O)=O)=O)=O)O2)C(NC1=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Horta Andrade et al., Braz. J. Pharm. Sci., 47(2), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]>[Phase II]>CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(OP(O)(OP(O)(O)=O)=O)=O)O2)C(NC1=O)=O Zidovudine to Zidovudine-triphosphate (AZT-TP),NA
35370,Zidovudine,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-],Phase II,105108,3'-Azido-3'-deoxy-5'-O-β-D-glucopyranuronosylthymidine (GZDV),CC1=CN(C(=O)NC1=O)C2CC([C@H](O2)COC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N=[N+]=[N-],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]>[Phase II]>CC1=CN(C(=O)NC1=O)C2CC([C@H](O2)COC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N=[N+]=[N-] Zidovudine to 3'-Azido-3'-deoxy-5'-O-β-D-glucopyranuronosylthymidine (GZDV),NA
35370,Zidovudine,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-],Phase I,108074,3'-Amino-3'-deoxythymidine (AMT),CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]>[Phase I]>CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N Zidovudine to 3'-Amino-3'-deoxythymidine (AMT),NA
35370,Zidovudine,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-],Phase II,455742,Zidovudine-diphosphate (AZT-DP),CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(OP(O)(O)=O)=O)O2)C(NC1=O)=O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Horta Andrade et al., Braz. J. Pharm. Sci., 47(2), 2011",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]>[Phase II]>CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(OP(O)(O)=O)=O)O2)C(NC1=O)=O Zidovudine to Zidovudine-diphosphate (AZT-DP),NA
35370,Zidovudine,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-],Phase I + II,131769941,3’-Amino-3’-deoxythimidine-glucuronide (GAMT),CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[C@H]3[C@@H]([C@H](OC([C@@H]3O)O)C(=O)O)O)N,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]>[Phase I + II]>CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[C@H]3[C@@H]([C@H](OC([C@@H]3O)O)C(=O)O)O)N Zidovudine to 3’-Amino-3’-deoxythimidine-glucuronide (GAMT),NA
5732,Zolpidem,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C,Phase I,154699860,Methoxyzolpidem,[H]C1=C([H])C(=C([H])C([H])=C1CO)C1=C(N2C([H])=C(C(O)=C([H])C2=N1)C([H])([H])[H])C([H])([H])C(=O)N(C([H])([H])[H])C([H])([H])[H],10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C>[Phase I]>[H]C1=C([H])C(=C([H])C([H])=C1CO)C1=C(N2C([H])=C(C(O)=C([H])C2=N1)C([H])([H])[H])C([H])([H])C(=O)N(C([H])([H])[H])C([H])([H])[H] Zolpidem to Methoxyzolpidem,NA
5732,Zolpidem,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C,Phase I,13691335,Methoxyzolpidem metabolite (M3),CC1=CN2C(=NC(=C2CC(=O)N(C)C)C3=CC=C(C=C3)CO)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C>[Phase I]>CC1=CN2C(=NC(=C2CC(=O)N(C)C)C3=CC=C(C=C3)CO)C=C1 Zolpidem to Methoxyzolpidem metabolite (M3),NA
5732,Zolpidem,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C,Phase I,13691337,Methoxyzolpidem metabolite (M4),CN(C)C(=O)CC1=C(N=C2C=CC(CO)=CN12)C1=CC=C(C)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C>[Phase I]>CN(C)C(=O)CC1=C(N=C2C=CC(CO)=CN12)C1=CC=C(C)C=C1 Zolpidem to Methoxyzolpidem metabolite (M4),NA
5732,Zolpidem,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C,Phase I,11966044,Zolpidem carboxylic acid (M1),CC1=CN2C(=NC(=C2CC(=O)N(C)C)C3=CC=C(C=C3)C(=O)O)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C>[Phase I]>CC1=CN2C(=NC(=C2CC(=O)N(C)C)C3=CC=C(C=C3)C(=O)O)C=C1 Zolpidem to Zolpidem carboxylic acid (M1),NA
5732,Zolpidem,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C,Phase I,13691338,Zolpidem carboxylic acid metabolite (M2),CN(C)C(=O)CC1=C(N=C2C=CC(=CN12)C(O)=O)C1=CC=C(C)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","DrugBank, https://go.drugbank.com/",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C>[Phase I]>CN(C)C(=O)CC1=C(N=C2C=CC(=CN12)C(O)=O)C1=CC=C(C)C=C1 Zolpidem to Zolpidem carboxylic acid metabolite (M2),NA
5732,Zolpidem,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C,Phase I,10336316,α-Hydroxyzolpidem,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)C(C(=O)N(C)C)O,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Yamaguchi et al., Forensic Toxicol., 40, 2022",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C>[Phase I]>CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)C(C(=O)N(C)C)O Zolpidem to α-Hydroxyzolpidem,NA
5732,Zolpidem,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C,Phase I,18962736,Zolpidem metabolite M11,CC1=CC=C(C2=C(CC(N(C)CO)=O)N3C=C(C)C=CC3=N2)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Yamaguchi et al., Forensic Toxicol., 40, 2022",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C>[Phase I]>CC1=CC=C(C2=C(CC(N(C)CO)=O)N3C=C(C)C=CC3=N2)C=C1 Zolpidem to Zolpidem metabolite M11,NA
5732,Zolpidem,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C,Phase I,169501869,7-Hydroxyzolpidem,CC1=CC=C(C2=C(CC(N(C)C)=O)N3C=C(C)C(O)=CC3=N2)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Yamaguchi et al., Forensic Toxicol., 40, 2022",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C>[Phase I]>CC1=CC=C(C2=C(CC(N(C)C)=O)N3C=C(C)C(O)=CC3=N2)C=C1 Zolpidem to 7-Hydroxyzolpidem,NA
5732,Zolpidem,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C,Phase I,169501869,5-Hydroxyzolpidem,CC1=CC=C(C2=C(CC(N(C)C)=O)N3C(O)=C(C)C=CC3=N2)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Yamaguchi et al., Forensic Toxicol., 40, 2022",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C>[Phase I]>CC1=CC=C(C2=C(CC(N(C)C)=O)N3C(O)=C(C)C=CC3=N2)C=C1 Zolpidem to 5-Hydroxyzolpidem,NA
5732,Zolpidem,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C,Phase I,14072393,8-Hydroxyzolpidem,CC1=CC=C(C2=C(CC(N(C)C)=O)N3C=C(C)C=C(O)C3=N2)C=C1,10.1021/acs.est.4c00968,"Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Meyer C, Stravs MA, Hollender J (2024) Environ. Sci. Technol. 58:22, 9828-9838","Yamaguchi et al., Forensic Toxicol., 40, 2022",10.5281/zenodo.10501043,S113 | SWISSPHARMA24 | 2024 Swiss Pharmaceutical List with Metabolites,NA,,CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C>[Phase I]>CC1=CC=C(C2=C(CC(N(C)C)=O)N3C=C(C)C=C(O)C3=N2)C=C1 Zolpidem to 8-Hydroxyzolpidem,NA