# cl_id

name: 1-(Oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
cas: 903550-26-5
chemspiderid: 9761972
dtxsid: DTXSID60469033
formula: C14H23B1N2O3
inchikey: ZZRFDLHBMBHJTI-UHFFFAOYSA-N
norman_susdat_id: NS00007825
pubchem_cid: 11587208
smiles: CC1(C)OB(OC1(C)C)c1ccnn1C1CCCCO1
inchi:
InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12/h8-9,12H,5-7,10H2,1-4H3


name: Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-
cas: 90356-78-8
chemspiderid: 7976749
formula: C18H14F4N2O2S1
inchikey: GCGWWKKSGPETMI-UHFFFAOYSA-N
norman_susdat_id: NS00006352
pubchem_cid: 9800987
smiles: CC(O)(CSc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
inchi:
InChI=1S/C18H14F4N2O2S/c1-17(26,10-27-14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)


name: Tofogliflozin
cas: 903565-83-3
chemspiderid: 52563959
dtxsid: DTXSID90238097
formula: C22H26O6
inchikey: VWVKUNOPTJGDOB-UHFFFAOYSA-N
norman_susdat_id: NS00002930
pubchem_cid: 73009670
smiles: CCc1ccc(Cc2ccc3COC4(OC(CO)C(O)C(O)C4O)c3c2)cc1
inchi:
InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3


name: Bicalutamide
cas: 90357-06-5
chebiid: CHEBI:144093
chemspiderid: 50614
dtxsid: DTXSID2022678
formula: C18H14F4N2O4S1
inchikey: LKJPYSCBVHEWIU-UHFFFAOYSA-N
norman_susdat_id: NS00000400
pubchem_cid: 56069
smiles: CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
inchi:
InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)


cas: 90366-94-2
dtxsid: DTXSID70883089
norman_susdat_id: NS00111359
name:
1,2-Ethanediamine, N,N'-bis(2-aminoethyl)-, reaction products with trifluoro(trifluoromethyl)oxirane


name: Amylopectin
cas: 9037-22-3
chemspiderid: 3670084
dtxsid: DTXSID1093880
formula: C30H52O26
inchikey: WMGFVAGNIYUEEP-UHFFFAOYSA-N
norman_susdat_id: NS00013366
pubchem_cid: 4471696
inchi:
InChI=1S/C30H52O26/c31-1-6-11(35)13(37)19(43)28(50-6)55-24-9(4-34)52-27(21(45)16(24)40)48-5-10-25(56-29-20(44)14(38)12(36)7(2-32)51-29)17(41)22(46)30(53-10)54-23-8(3-33)49-26(47)18(42)15(23)39/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29-,30-/m1/s1

smiles:
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC[C@H]3O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)[C@H](O)[C@@H](O)[C@@H]3O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O


name: Captodiame hydrochloride
cas: 904-04-1
formula: C21H29NS2.ClH
inchikey: IQCZDPRPOLRNQX-UHFFFAOYSA-N
norman_susdat_id: NS00079335
smiles: Cl.CCCCSc1ccc(cc1)C(SCCN(C)C)c2ccccc2
inchi:
InChI=1/C21H29NS2.ClH/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18;/h6-14,21H,4-5,15-17H2,1-3H3;1H


name: Virginiamycin
cas: 9040-13-5
chemspiderid: 4952830
formula: C28H37N3O7
inchikey: JOOMGSFOCRDAHL-PKKGJCBASA-N
norman_susdat_id: NS00002174
pubchem_cid: 21944104
smiles: CC(C)[C@H]1OC(=O)C2CCCN2C(=O)c2coc(CC(=O)C[C@H](O)C=C(C)/C=CCNC(=O)C=C/[C@H]1C)n2
inchi:
InChI=1S/C28H37N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7,9-10,13,16-17,19-20,23,26,32H,6,8,11-12,14-15H2,1-4H3,(H,29,34)/b7-5-,10-9-,18-13-/t19-,20-,23?,26-/m1/s1


cas: 9040-38-4
formula: C19H28O7S
norman_susdat_id: NS00101676
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(3-carboxy-1-oxo-3-sulfopropyl)-.omega.-(nonylphenoxy)-, disodium salt


name: N,N-Diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
cas: 90403-88-6
dtxsid: DTXSID40895997
formula: C13H10F17NO
inchikey: UQZCRDOKLCDJNE-UHFFFAOYSA-N
norman_susdat_id: NS00110408
smiles: CCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H10F17NO/c1-3-31(4-2)5(32)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h3-4H2,1-2H3


name: HYDROXYBUTYL METHYLCELLULOSE
cas: 9041-56-9
chemspiderid: 2341171
formula: C44H86O19
inchikey: ARRQYZKYLWVMTL-UHFFFAOYSA-N
norman_susdat_id: NS00013751
pubchem_cid: 3084048
inchi:
InChI=1S/C44H86O19.C20H38O11/c1-9-27(45)17-53-25-35-37(55-19-29(47)11-3)39(56-20-30(48)12-4)42(59-23-33(51)15-7)44(62-35)63-38-36(26-54-18-28(46)10-2)61-43(60-24-34(52)16-8)41(58-22-32(50)14-6)40(38)57-21-31(49)13-5;1-21-9-11-13(23-3)15(24-4)18(27-7)20(30-11)31-14-12(10-22-2)29-19(28-8)17(26-6)16(14)25-5/h27-52H,9-26H2,1-8H3;11-20H,9-10H2,1-8H3

smiles:
CCC(O)COCC1OC(OC2C(COCC(O)CC)OC(OCC(O)CC)C(OCC(O)CC)C2OCC(O)CC)C(OCC(O)CC)C(OCC(O)CC)C1OCC(O)CC.COCC3OC(OC4C(COC)OC(OC)C(OC)C4OC)C(OC)C(OC)C3OC


cas: 90427-30-8
dtxsid: DTXSID30920388
formula: C40H32N8O5
inchikey: RTDXBZFPLUGVNA-UHFFFAOYSA-N
norman_susdat_id: NS00065847
pubchem_cid: NA
name:
4,4'-[1,3,4-oxadiazole-2,5-diylbis[(2-methyl-4,1-phenylene)azo]]bis[3-hydroxy-N-methylnaphthalene-2-carboxamide]

inchi:
InChI=1/C40H32N8O5/c1-21-17-25(13-15-31(21)43-45-33-27-11-7-5-9-23(27)19-29(35(33)49)37(51)41-3)39-47-48-40(53-39)26-14-16-32(22(2)18-26)44-46-34-28-12-8-6-10-24(28)20-30(36(34)50)38(52)42-4/h5-20,49-50H,1-4H3,(H,41,51)(H,42,52)

smiles:
O=C(NC)C1=CC=2C=CC=CC2C(N=NC=3C=CC(=CC3C)C4=NN=C(O4)C=5C=CC(N=NC6=C(O)C(=CC=7C=CC=CC67)C(=O)NC)=C(C5)C)=C1O


cas: 90427-34-2
dtxsid: DTXSID70920387
formula: C38H26Cl2N8O5
inchikey: LMSKJDIKEUAKDX-UHFFFAOYSA-N
norman_susdat_id: NS00064656
pubchem_cid: NA
name:
4,4'-[1,3,4-oxadiazole-2,5-diylbis[(3-chloro-4,1-phenylene)azo]]bis[3-hydroxy-N-methylnaphthalene-2-carboxamide]

inchi:
InChI=1/C38H26Cl2N8O5/c1-41-35(51)27-15-19-7-3-5-9-23(19)31(33(27)49)45-43-21-11-13-25(29(39)17-21)37-47-48-38(53-37)26-14-12-22(18-30(26)40)44-46-32-24-10-6-4-8-20(24)16-28(34(32)50)36(52)42-2/h3-18,49-50H,1-2H3,(H,41,51)(H,42,52)

smiles:
O=C(NC)C1=CC=2C=CC=CC2C(N=NC=3C=CC(=C(Cl)C3)C4=NN=C(O4)C=5C=CC(N=NC6=C(O)C(=CC=7C=CC=CC76)C(=O)NC)=CC5Cl)=C1O


name: 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-N-(3-methoxyphenyl)heptanamide
cas: 904565-42-0
dtxsid: DTXSID70896210
formula: C14H8F13NO2
inchikey: ALGOLQFPMNZMNC-UHFFFAOYSA-N
norman_susdat_id: NS00111465
smiles: COc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1
inchi:
InChI=1S/C14H8F13NO2/c1-30-7-4-2-3-6(5-7)28-8(29)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-5H,1H3,(H,28,29)


name: TEREPHTHALYLIDENE DICAMPHOR SULFONIC ACID
cas: 90457-82-2
chemspiderid: 4946116
formula: C28H34O8S2
inchikey: HEAHZSUCFKFERC-AXPXABNXSA-N
norman_susdat_id: NS00014150
pubchem_cid: 6442003
smiles: CC1(C)C2CCC1(C[S](O)(=O)=O)C(=O)C2=Cc3ccc(cc3)/C=C4/C5CCC(C[S](O)(=O)=O)(C4=O)C5(C)C
inchi:
InChI=1S/C28H34O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-22H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13-,20-14-


name: (R)-(3-carboxy-2-hydroxypropyl)trimethylammonium hydrogen fumarate
cas: 90471-79-7
formula: C7H16NO3.C4H3O4
inchikey: HNSUOMBUJRUZHJ-UEMBJLSASA-M
norman_susdat_id: NS00092519
smiles: C[N+](C)(C)C[C@H](O)CC(=O)O.[O-]C(=O)\C=C\C(=O)[O-]
inchi:
InChI=1/C7H15NO3.C4H4O4/c1-8(2,3)5-6(9)4-7(10)11;5-3(6)1-2-4(7)8/h6,9H,4-5H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-1


cas: 9048-57-1
norman_susdat_id: NS00112810
name:
4,4-Methylenediphenyl diisocyanate, oligomeric reaction products with ?-hydro-?-hydroxypoly(oxy-1,2-ethanediyl)


cas: 90480-57-2
dtxsid: DTXSID10881302
norman_susdat_id: NS00109224
name:
Octanoic acid, pentadecafluoro-, mixed esters with 2,2'-[1,4-butanediylbis(oxymethylene)]bis[oxirane] and 2,2'-[1,6-hexanediylbis(oxymethylene)]bis[oxirane]


name: Sumilizer GA 80
cas: 90498-90-1
chemspiderid: 9290439
dtxsid: DTXSID7052606
formula: C43H64O10
inchikey: CGRTZESQZZGAAU-UHFFFAOYSA-N
norman_susdat_id: NS00020547
pubchem_cid: 11115306
inchi:
InChI=1S/C43H64O10/c1-27-17-29(19-31(35(27)46)39(3,4)5)13-15-33(44)48-21-41(9,10)37-50-23-43(24-51-37)25-52-38(53-26-43)42(11,12)22-49-34(45)16-14-30-18-28(2)36(47)32(20-30)40(6,7)8/h17-20,37-38,46-47H,13-16,21-26H2,1-12H3/t37-,38-,43-/m1/s1

smiles:
CC1=CC(CCC(=O)OCC(C)(C)C2OCC3(CO2)COC(OC3)C(C)(C)COC(=O)CCC2=CC(=C(O)C(C)=C2)C(C)(C)C)=CC(=C1O)C(C)(C)C


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluoroicosane
cas: 90499-29-9
dtxsid: DTXSID60895353
formula: C20H21F21
inchikey: IVEZGFUIXGVGNW-UHFFFAOYSA-N
norman_susdat_id: NS00111034
smiles: CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C20H21F21/c1-2-3-4-5-6-7-8-9-10-11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)19(37,38)20(39,40)41/h2-10H2,1H3


name: 1-(Perfluoro-n-hexyl)dodecane
cas: 90499-30-2
dtxsid: DTXSID80381980
formula: C18H25F13
inchikey: SSVQUYHNTDJHGP-UHFFFAOYSA-N
norman_susdat_id: NS00111573
smiles: CCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C18H25F13/c1-2-3-4-5-6-7-8-9-10-11-12-13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h2-12H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluoroicosane
cas: 90499-31-3
dtxsid: DTXSID10895383
formula: C20H17F25
inchikey: QELQLGDYULEYAR-UHFFFAOYSA-N
norman_susdat_id: NS00109334
smiles: CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C20H17F25/c1-2-3-4-5-6-7-8-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h2-8H2,1H3


name: 3-pyrrolidin-1-ylandrosta-3,5-dien-17-one
cas: 905-30-6
dtxsid: DTXSID20920357
formula: C23H33NO
inchikey: RYMKCRPGXRRYQV-CWMMHYCISA-N
norman_susdat_id: NS00041969
pubchem_cid: 101900
smiles: O=C1CCC2C3CC=C4C=C(N5CCCC5)CCC4(C)C3CCC12C
inchi:
InChI=1/C23H33NO/c1-22-11-9-17(24-13-3-4-14-24)15-16(22)5-6-18-19-7-8-21(25)23(19,2)12-10-20(18)22/h5,15,18-20H,3-4,6-14H2,1-2H3


name: 2,5-Di(1-naphthyl)-1,3,4-oxadiazole
cas: 905-62-4
chemspiderid: 63368
dtxsid: DTXSID80238182
formula: C22H14N2O1
inchikey: MUNFOTHAFHGRIM-UHFFFAOYSA-N
norman_susdat_id: NS00039363
pubchem_cid: 70182
smiles: o1c(nnc1c1c2ccccc2ccc1)c1c2ccccc2ccc1
inchi:
InChI=1S/C22H14N2O/c1-3-11-17-15(7-1)9-5-13-19(17)21-23-24-22(25-21)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H


name: 3-ethyl-2-[3-(3-ethyl-3H-benzoxazol-2-ylidene)prop-1-enyl]benzoxazolium iodide
cas: 905-96-4
chebiid: CHEBI:52781
dtxsid: DTXSID30883601
formula: C21H21N2O2
inchikey: FIZZUEJIOKEFFZ-UHFFFAOYSA-M
norman_susdat_id: NS00041590
pubchem_cid: NA
smiles: [I-].O1C=2C=CC=CC2N(C1=CC=CC=3OC=4C=CC=CC4[N+]3CC)CC
inchi:
InChI=1/C21H21N2O2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1


name: Luxabendazole
cas: 90509-02-7
chemspiderid: 65016
dtxsid: DTXSID00238189
formula: C15H12F1N3O5S1
inchikey: ZVIDWFUBDDXAJA-UHFFFAOYSA-N
norman_susdat_id: NS00040626
pubchem_cid: 72019
smiles: COC(=O)Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2[nH]1
inchi:
InChI=1S/C15H12FN3O5S/c1-23-15(20)19-14-17-12-7-4-10(8-13(12)18-14)24-25(21,22)11-5-2-9(16)3-6-11/h2-8H,1H3,(H2,17,18,19,20)


cas: 9051-37-0
formula: C18H14N4O5
norman_susdat_id: NS00101715
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[[(3-isocyanatomethylphenyl)amino]carbonyl]-.omega.-[[[(3-isocyanatomethylphenyl)amino]carbonyl]oxy]-


name: Pevonedistat
cas: 905579-51-3
chebiid: CHEBI:95028
formula: C21H25N5O4S
inchikey: MPUQHZXIXSTTDU-QXGSTGNESA-N
norman_susdat_id: NS00072840
pubchem_cid: 16720766
smiles: NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O
inchi:
InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1


name: Fluticasone
cas: 90566-53-3
chemspiderid: 3848508
dtxsid: DTXSID0044022
formula: C22H27F3O4S1
inchikey: MGNNYOODZCAHBA-UHFFFAOYSA-N
norman_susdat_id: NS00009614
pubchem_cid: 4659387
smiles: CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)SCF
inchi:
InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3


name: Sucrose heptastearate
cas: 90567-58-1
formula: C138H260O18
inchikey: WKTGPVRCJVGUCH-MYELPBIZSA-N
norman_susdat_id: NS00065270
pubchem_cid: 54435996
inchi:
InChI=1/C138H260O18/c1-8-15-22-29-36-43-50-57-64-71-78-85-92-99-106-113-125(140)147-121-124-133(151-128(143)116-109-102-95-88-81-74-67-60-53-46-39-32-25-18-11-4)136(154-131(146)119-112-105-98-91-84-77-70-63-56-49-42-35-28-21-14-7)138(155-124,122-148-126(141)114-107-100-93-86-79-72-65-58-51-44-37-30-23-16-9-2)156-137-135(153-130(145)118-111-104-97-90-83-76-69-62-55-48-41-34-27-20-13-6)134(152-129(144)117-110-103-96-89-82-75-68-61-54-47-40-33-26-19-12-5)132(123(120-139)149-137)150-127(142)115-108-101-94-87-80-73-66-59-52-45-38-31-24-17-10-3/h123-124,132-137,139H,8-122H2,1-7H3

smiles:
O=C(OCC1OC(OC2OC(CO)C(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC


name: Neodymium(3+) oleate
cas: 90568-80-2
formula: C18H34O2.1/3Nd
inchikey: JWQGBDFFIMSRRH-GNOQXXQHSA-K
norman_susdat_id: NS00092575
smiles: [Nd+3].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H34O2.Nd/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3


name: 2,2,3,3,4,4,4-Heptafluoro-N-(1-phenylpropan-2-yl)butanamide
cas: 90582-01-7
dtxsid: DTXSID30896039
formula: C13H12F7NO
inchikey: WRXHKYHBKGCSAA-UHFFFAOYSA-N
norman_susdat_id: NS00110071
smiles: CC(CC1=CC=CC=C1)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C13H12F7NO/c1-8(7-9-5-3-2-4-6-9)21-10(22)11(14,15)12(16,17)13(18,19)20/h2-6,8H,7H2,1H3,(H,21,22)


name: 16-Hydroxygratiogenin
cas: 90582-59-5
chemspiderid: 101280200
formula: C30H48O5
inchikey: LLGCYQRLKAFMOX-GRBHVWTASA-N
norman_susdat_id: NS00094075
smiles:
C[C@]1(CC[C@H](O1)C(C)(C)O)[C@H]2[C@@H](C[C@@]3([C@@]2(CC(=O)[C@@]4([C@H]3CC=C5[C@H]4CC[C@@H](C5(C)C)O)C)C)C)O


name: Tivantinib
cas: 905854-02-6
chebiid: CHEBI:91398
dtxsid: DTXSID60920316
formula: C23H19N3O2
inchikey: UCEQXRCJXIVODC-PMACEKPBSA-N
norman_susdat_id: NS00073191
pubchem_cid: 11494412
smiles: O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12
inchi:
InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1


name: 1-Methyl-3-octyl-1H-imidazolium perfluorobutanesulfonate
cas: 905972-83-0
dtxsid: DTXSID40897456
formula: C16H25F9N2O3S
inchikey: GEQQFRWTWXLDAV-UHFFFAOYSA-N
norman_susdat_id: NS00110494
smiles: CCCCCCCCN1C[NH+](C)C=C1.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C12H24N2.C4HF9O3S/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h10-11H,3-9,12H2,1-2H3;(H,14,15,16)


cas: 906-33-2
formula: C16H18O9
inchikey: CWVRJTMFETXNAD-UHFFFAOYSA-N
norman_susdat_id: NS00079336
smiles: OC1CC(O)(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)C(=O)O
name:
[1R-(1a,3a,4a,5ß)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid

inchi:
InChI=1/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)


name: 2-(Triphenylphosphoranylidene)succinic anhydride
cas: 906-65-0
chemspiderid: 63369
dtxsid: DTXSID50238215
formula: C22H17O3P1
inchikey: CXYNGWAHZKOMJQ-UHFFFAOYSA-N
norman_susdat_id: NS00039368
pubchem_cid: 70183
smiles: O=C1CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O1
inchi:
InChI=1S/C22H17O3P/c23-21-16-20(22(24)25-21)26(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2


name: D-Glucitol, tetradecanoate
cas: 90604-93-6
formula: C46H86O10
inchikey: QJIFHLVLDZWQJJ-YPZHDCAASA-N
norman_susdat_id: NS00065254
pubchem_cid: NA
smiles: O=C(OCC(OC(=O)CCCCCCCCC)C(OC(=O)CCCCCCCCC)C(OC(=O)CCCCCCCCC)C(O)CO)CCCCCCCCC
inchi:
InChI=1/C46H86O10/c1-5-9-13-17-21-25-29-33-41(49)53-38-40(54-42(50)34-30-26-22-18-14-10-6-2)46(56-44(52)36-32-28-24-20-16-12-8-4)45(39(48)37-47)55-43(51)35-31-27-23-19-15-11-7-3/h39-40,45-48H,5-38H2,1-4H3


name: Hexanedioic acid, octadecyl ester
cas: 90604-96-9
chemspiderid: 145518
dtxsid: DTXSID10238216
formula: C24H46O4
inchikey: ABXNBKQSDWIZQP-UHFFFAOYSA-N
norman_susdat_id: NS00039366
pubchem_cid: 208864
smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)O
inchi:
InChI=1S/C24H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-24(27)21-18-17-20-23(25)26/h2-22H2,1H3,(H,25,26)


name: (2S)-2-{Bis[4-(heptadecafluorooctyl)phenyl][(trimethylsilyl)oxy]methyl}pyrrolidine
cas: 906077-31-4
dtxsid: DTXSID70896255
formula: C36H25F34NOSi
inchikey: UPOGXAQYHYZJRF-IBGZPJMESA-N
norman_susdat_id: NS00111470
inchi:
InChI=1S/C36H25F34NOSi/c1-73(2,3)72-20(19-5-4-14-71-19,15-6-10-17(11-7-15)21(37,38)23(41,42)25(45,46)27(49,50)29(53,54)31(57,58)33(61,62)35(65,66)67)16-8-12-18(13-9-16)22(39,40)24(43,44)26(47,48)28(51,52)30(55,56)32(59,60)34(63,64)36(68,69)70/h6-13,19,71H,4-5,14H2,1-3H3/t19-/m0/s1

smiles:
C[Si](C)(C)OC([C@@H]1CCCN1)(c1ccc(cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: T-2 toxin
cas: 9061-58-9
chebiid: CHEBI:9381
chemspiderid: 4447526
dtxsid: DTXSID6021298
formula: C24H34O9
inchikey: BXFOFFBJRFZBQZ-QYWOHJEZSA-N
norman_susdat_id: NS00000188
pubchem_cid: 5284461
smiles: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C
inchi:
InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1


cas: 906532-68-1
inchikey: SHQNXUZPMAFMIW-UHFFFAOYSA-M
norman_susdat_id: NS00078626
name:
3,5-diamino-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-2-[[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]benzoic acid sodium salt

smiles:
[Na+].NC=1C(=C(C(=O)[O-])C=C(C1N=NC1=CC=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O)N)N=NC1=C(C=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O


cas: 90677-59-1
formula: C23H21Cl2N9O11S3.3Na
inchikey: PBOWVOYEXQZQSO-UHFFFAOYSA-K
norman_susdat_id: NS00093132
name:
Trisodium 2-[[4-chloro-6-morpholino-1,3,5-triazin-2-yl]amino]-5-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzene-1,4-disulphonate

inchi:
InChI=1/C23H21Cl2N9O11S3.3Na/c1-11-19(20(35)34(32-11)16-8-12(46(36,37)38)2-3-13(16)24)31-30-15-10-17(47(39,40)41)14(9-18(15)48(42,43)44)26-22-27-21(25)28-23(29-22)33-4-6-45-7-5-33;;;/h2-3,8-10,19H,4-7H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,26,27,28,29);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(c(Cl)cc1)N5/N=C(/C)C(N=Nc2cc(c(cc2S([O-])(=O)=O)Nc3nc(nc(Cl)n3)N4CCOCC4)S([O-])(=O)=O)C5=O


cas: 90677-61-5
dtxsid: DTXSID20920236
formula: C27H33ClN4O6S
inchikey: NPWULNYDQMAFNK-UHFFFAOYSA-M
norman_susdat_id: NS00065385
pubchem_cid: 56841479
smiles: [Na+].O=C(OCCCCCCCCCC)C=1C=CC=CC1N=NC2C(=O)N(N=C2C)C3=CC(=CC=C3Cl)S(=O)(=O)[O-]
name:
Sodium 1-decyl 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoate

inchi:
InChI=1/C27H33ClN4O6S.Na/c1-3-4-5-6-7-8-9-12-17-38-27(34)21-13-10-11-14-23(21)29-30-25-19(2)31-32(26(25)33)24-18-20(39(35,36)37)15-16-22(24)28;/h10-11,13-16,18,25H,3-9,12,17H2,1-2H3,(H,35,36,37);/q;+1/p-1


cas: 90677-62-6
formula: C18H19Br2N5O7S.Na
inchikey: KOUXKVGSBDUBMI-UHFFFAOYSA-M
norman_susdat_id: NS00093133
smiles: [Na+].O=C2/C(=C(/C)\C(\N=Nc1cc(NC(=O)C(Br)CBr)ccc1S([O-])(=O)=O)=C(\O)N2CC)C(N)=O
name:
Sodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-4-[(2,3-dibromo-1-oxopropyl)amino]benzenesulphonate

inchi:
InChI=1/C18H19Br2N5O7S.Na/c1-3-25-17(28)13(15(21)26)8(2)14(18(25)29)24-23-11-6-9(22-16(27)10(20)7-19)4-5-12(11)33(30,31)32;/h4-6,10,29H,3,7H2,1-2H3,(H2,21,26)(H,22,27)(H,30,31,32);/q;+1/p-1


name: 4-((4-Aminophenyl)methyl)-2,6-diethylaniline
cas: 90680-33-4
chemspiderid: 2288328
dtxsid: DTXSID50238235
formula: C17H22N2
inchikey: HUDSLLZRUDXZJQ-UHFFFAOYSA-N
norman_susdat_id: NS00039370
pubchem_cid: 3021714
smiles: CCc1cc(Cc2ccc(N)cc2)cc(CC)c1N
inchi:
InChI=1S/C17H22N2/c1-3-14-10-13(11-15(4-2)17(14)19)9-12-5-7-16(18)8-6-12/h5-8,10-11H,3-4,9,18-19H2,1-2H3


name: 4-((4-Aminophenyl)methyl)-2,6-diisopropylaniline
cas: 90680-34-5
chemspiderid: 14660347
dtxsid: DTXSID10238236
formula: C19H26N2
inchikey: XMHYNCJWBBKQTQ-UHFFFAOYSA-N
norman_susdat_id: NS00039371
pubchem_cid: 3021715
smiles: CC(C)c1cc(Cc2ccc(N)cc2)cc(C(C)C)c1N
inchi:
InChI=1S/C19H26N2/c1-12(2)17-10-15(11-18(13(3)4)19(17)21)9-14-5-7-16(20)8-6-14/h5-8,10-13H,9,20-21H2,1-4H3


name: 5-((4-Aminocyclohexyl)methyl)-o-toluidine
cas: 90680-62-9
chemspiderid: 2288332
dtxsid: DTXSID70238237
formula: C14H22N2
inchikey: JXKCXZZWQAMWAH-UHFFFAOYSA-N
norman_susdat_id: NS00039372
pubchem_cid: 3021719
smiles: Cc1c(N)cc(CC2CCC(N)CC2)cc1
inchi:
InChI=1S/C14H22N2/c1-10-2-3-12(9-14(10)16)8-11-4-6-13(15)7-5-11/h2-3,9,11,13H,4-8,15-16H2,1H3/t11-,13+


cas: 90697-54-4
dtxsid: DTXSID50920224
formula: C32H28ClN5O10S3
inchikey: SJTMOIQQBWWNMR-UHFFFAOYSA-M
norman_susdat_id: NS00065386
pubchem_cid: 135570502
name:
Sodium 1-[4-(chloroacetamido)phenyl] 2-[[2-amino-6-[[ethyl(4-sulphonatophenyl)amino]sulphonyl]-8-hydroxy-1-naphthyl]azo]benzenesulphonate

inchi:
InChI=1/C32H28ClN5O10S3.Na/c1-2-38(22-10-14-24(15-11-22)50(43,44)45)49(41,42)25-17-20-7-16-26(34)32(31(20)28(39)18-25)37-36-27-5-3-4-6-29(27)51(46,47)48-23-12-8-21(9-13-23)35-30(40)19-33;/h3-18,39H,2,19,34H2,1H3,(H,35,40)(H,43,44,45);/q;+1/p-1

smiles:
[Na+].O=C(NC1=CC=C(OS(=O)(=O)C=2C=CC=CC2N=NC3=C(N)C=CC4=CC(=CC(O)=C43)S(=O)(=O)N(C5=CC=C(C=C5)S(=O)(=O)[O-])CC)C=C1)CCl


cas: 90718-04-0
dtxsid: DTXSID30882992
norman_susdat_id: NS00109980
name:
2-Propenoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester, polymer with octadecyl-2-pronenoate


name: Fluxapyroxad
cas: 907204-31-3
chebiid: CHEBI:83113
chemspiderid: 17253690
dtxsid: DTXSID6058215
formula: C18H12F5N3O1
inchikey: SXSGXWCSHSVPGB-UHFFFAOYSA-N
norman_susdat_id: NS00006403
pubchem_cid: 16095400
smiles: Cn1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c(n1)C(F)F
inchi:
InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorohexacos-9-ene
cas: 907206-01-3
dtxsid: DTXSID70895566
formula: C26H35F17
inchikey: RJTGGFRPTUCUTK-UHFFFAOYSA-N
norman_susdat_id: NS00111417
smiles: CCCCCCCCCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C26H35F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43/h17-18H,2-16H2,1H3


cas: 90729-40-1
formula: C24H21ClN5O5
inchikey: XJRUQIYOHOGTGA-UHFFFAOYSA-N
norman_susdat_id: NS00064995
pubchem_cid: NA
smiles: N#CC=1C(=O)N(C(O)=C(N=NC2=CC=C(C=C2[N+](=O)[O-])C(=O)C3=CC=C(Cl)C=C3)C1C)CCCC
name:
1-butyl-5-[[4-(4-chlorobenzoyl)-2-nitrophenyl]azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile

inchi:
InChI=1/C24H20ClN5O5/c1-3-4-11-29-23(32)18(13-26)14(2)21(24(29)33)28-27-19-10-7-16(12-20(19)30(34)35)22(31)15-5-8-17(25)9-6-15/h5-10,12,33H,3-4,11H2,1-2H3


name: Ebastine
cas: 90729-43-4
chebiid: CHEBI:31528
chemspiderid: 3079
dtxsid: DTXSID6046472
formula: C32H39N1O2
inchikey: MJJALKDDGIKVBE-UHFFFAOYSA-N
norman_susdat_id: NS00002898
pubchem_cid: 3191
smiles: CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3


name: Propanamide, N-(3-fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]-
cas: 90736-22-4
chemspiderid: 540323
dtxsid: DTXSID70347459
formula: C22H27F1N2O1
inchikey: SLTQVWMQISKVDN-UHFFFAOYSA-N
norman_susdat_id: NS00018234
pubchem_cid: 621847
smiles: CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC(=CC=C3)F
inchi:
InChI=1S/C22H27FN2O/c1-2-22(26)25(21-10-6-9-19(23)17-21)20-12-15-24(16-13-20)14-11-18-7-4-3-5-8-18/h3-10,17,20H,2,11-16H2,1H3


name: N-(4-Fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidyl] propanamide
cas: 90736-23-5
chebiid: CHEBI:61074
chemspiderid: 56096
dtxsid: DTXSID0048929
formula: C22H27F1N2O1
inchikey: KXUBAVLIJFTASZ-UHFFFAOYSA-N
norman_susdat_id: NS00017927
pubchem_cid: 62300
smiles: CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)F
inchi:
InChI=1S/C22H27FN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3


cas: 90751-07-8
norman_susdat_id: NS00113015
name:
Poly(6-morpholino-1,3,5-triazine-2,4-diyl)-[(2,2,6,6-tetramethyl-4-piperidyl)imino)]-hexamethylene-[(2,2,6,6-tetramethyl-4-piperidyl)imino)]


name: Ls-53675
cas: 9076-44-2
dtxsid: DTXSID40864183
formula: C31H41N7O6
inchikey: MRXDGVXSWIXTQL-LROMGURASA-N
norman_susdat_id: NS00069822
pubchem_cid: 5287931
smiles: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H]1CCNC(=N)N1)C(=O)N[C@H](C=O)Cc1ccccc1
inchi:
InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23-,24-,25-,26-/m0/s1


name: Atosiban
cas: 90779-69-4
chemspiderid: 61877
dtxsid: DTXSID8048991
formula: C43H67N11O12S2
inchikey: VWXRQYYUEIYXCZ-AVTFEHRISA-N
norman_susdat_id: NS00004044
pubchem_cid: 68613
inchi:
InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36?/m0/s1

smiles:
CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)cc1


name: N-acetylglycine, compound with 4,4'-(1-triazene-1,3-diyl)bis[benzenecarboxamidine] (2:1)
cas: 908-54-3
chebiid: CHEBI:82615
formula: C14H15N7.2C4H7NO3
inchikey: OKQSSSVVBOUMNZ-UHFFFAOYSA-N
norman_susdat_id: NS00079552
smiles: CC(=O)NCC(O)=O.CC(=O)NCC(O)=O.NC(=N)c2ccc(N=NNc1ccc(cc1)C(N)=N)cc2
inchi:
InChI=1/C14H15N7.2C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;2*1-3(6)5-2-4(7)8/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);2*2H2,1H3,(H,5,6)(H,7,8)


name: Diethyl N-[4-(4-oxobutyl)benzoyl]-L-glutamate
cas: 908145-87-9
chemspiderid: 9102173
formula: C20H27N1O6
inchikey: ZQIWUAMQMRFJEB-KRWDZBQOSA-N
norman_susdat_id: NS00005851
pubchem_cid: 10926929
smiles: CCOC(=O)CC[C@H](NC(=O)c1ccc(CCCC=O)cc1)C(=O)OCC
inchi:
InChI=1S/C20H27NO6/c1-3-26-18(23)13-12-17(20(25)27-4-2)21-19(24)16-10-8-15(9-11-16)7-5-6-14-22/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,21,24)/t17-/m0/s1


cas: 90850-66-1
formula: C62H91N5O5S
inchikey: VQRXLQGLCHLMFH-UHFFFAOYSA-N
norman_susdat_id: NS00065020
pubchem_cid: 135570922
name:
1-hydroxy-4-[[[4-hydroxy-3-(2-pyridylazo)naphthyl]sulphonyl]amino]-N,N-dioctadecylnaphthalene-2-carboxamide

inchi:
InChI=1/C62H91N5O5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-47-67(48-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)62(70)55-49-56(51-41-33-35-43-53(51)60(55)68)66-73(71,72)58-50-57(64-65-59-45-37-38-46-63-59)61(69)54-44-36-34-42-52(54)58/h33-38,41-46,49-50,66,68-69H,3-32,39-40,47-48H2,1-2H3

smiles:
O=C(C=1C=C(NS(=O)(=O)C2=CC(N=NC3=NC=CC=C3)=C(O)C=4C=CC=CC42)C=5C=CC=CC5C1O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC


cas: 90883-70-8
formula: C37H27N7O5
inchikey: OTDCQYBNBJQWJP-UHFFFAOYSA-N
norman_susdat_id: NS00064950
pubchem_cid: NA
smiles: O=C(NC)C1=CC=2C=CC=CC2C(N=NC3=CC=C(C=C3)C4=NC=5C=CC(N=NC6=C(O)C(=CC=7C=CC=CC76)C(=O)NC)=CC5O4)=C1O
name:
3-hydroxy-4-[[4-[6-[[2-hydroxy-3-[(methylamino)carbonyl]naphthyl]azo]benzoxazol-2-yl]phenyl]azo]-N-methylnaphthalene-2-carboxamide

inchi:
InChI=1/C37H27N7O5/c1-38-35(47)27-17-21-7-3-5-9-25(21)31(33(27)45)43-41-23-13-11-20(12-14-23)37-40-29-16-15-24(19-30(29)49-37)42-44-32-26-10-6-4-8-22(26)18-28(34(32)46)36(48)39-2/h3-19,45-46H,1-2H3,(H,38,47)(H,39,48)


cas: 90883-74-2
formula: C38H29N7O5
inchikey: HXABXBXQFGDBQR-UHFFFAOYSA-N
norman_susdat_id: NS00064974
pubchem_cid: NA
name:
3-hydroxy-4-[[4-[6-[[2-hydroxy-3-[(methylamino)carbonyl]naphthyl]azo]benzoxazol-2-yl]-2-methylphenyl]azo]-N-methylnaphthalene-2-carboxamide

inchi:
InChI=1/C38H29N7O5/c1-20-16-23(12-14-29(20)43-45-33-26-11-7-5-9-22(26)18-28(35(33)47)37(49)40-3)38-41-30-15-13-24(19-31(30)50-38)42-44-32-25-10-6-4-8-21(25)17-27(34(32)46)36(48)39-2/h4-19,46-47H,1-3H3,(H,39,48)(H,40,49)

smiles:
O=C(NC)C1=CC=2C=CC=CC2C(N=NC=3C=CC=4N=C(OC4C3)C5=CC=C(N=NC6=C(O)C(=CC=7C=CC=CC76)C(=O)NC)C(=C5)C)=C1O


name: 4-[3-(5H-dibenz(b,f)azepin-5-yl)propyl]piperazine-1-ethanol dihydrochloride
cas: 909-39-7
formula: C23H29N3O.2ClH
inchikey: DLTOEESOSYKJBK-UHFFFAOYSA-N
norman_susdat_id: NS00079553
smiles: Cl.Cl.OCCN1CCN(CCCN2c3ccccc3C=Cc4ccccc24)CC1
inchi:
InChI=1/C23H29N3O.2ClH/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26;;/h1-4,6-11,27H,5,12-19H2;2*1H


name: 3-ethyl-2-[2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]benzothiazolium iodide
cas: 909-63-7
dtxsid: DTXSID90920086
formula: C23H25N2S2
inchikey: WWXXZRSESCDLJO-UHFFFAOYSA-M
norman_susdat_id: NS00042403
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=CC2N(C1=CC(=CC=3SC=4C=CC=CC4[N+]3CC)CC)CC
inchi:
InChI=1/C23H25N2S2.HI/c1-4-17(15-22-24(5-2)18-11-7-9-13-20(18)26-22)16-23-25(6-3)19-12-8-10-14-21(19)27-23;/h7-16H,4-6H2,1-3H3;1H/q+1;/p-1


name: Esculetin dibenzylether
cas: 909-84-2
chemspiderid: 63370
dtxsid: DTXSID70238313
formula: C23H18O4
inchikey: GTUPSBQDBMSQTH-UHFFFAOYSA-N
norman_susdat_id: NS00039382
pubchem_cid: 70184
smiles: O=c1oc2c(cc1)cc(OCc1ccccc1)c(OCc1ccccc1)c2
inchi:
InChI=1S/C23H18O4/c24-23-12-11-19-13-21(25-15-17-7-3-1-4-8-17)22(14-20(19)27-23)26-16-18-9-5-2-6-10-18/h1-14H,15-16H2


name: 4-hdohe
cas: 90906-40-4
dtxsid: DTXSID40694003
formula: C22H32O3
inchikey: IFRKCNPQVIJFAQ-HBUOOPIGSA-N
norman_susdat_id: NS00071809
pubchem_cid: 24875301
smiles: CC/C=CC/C=CC/C=CC/C=CC/C=CC=C[C@@H](O)CCC(=O)O
inchi:
InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+/t21-/m1/s1


name: 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibutyl-9,9-dimethyl-
cas: 90961-45-8
chemspiderid: 171958
dtxsid: DTXSID70238333
formula: C17H34N2
inchikey: MUQFLLKQSNNHIW-UHFFFAOYSA-N
norman_susdat_id: NS00039380
pubchem_cid: 198668
smiles: CCCCN1CC2CN(CCCC)CC(C1)C2(C)C
inchi:
InChI=1S/C17H34N2/c1-5-7-9-18-11-15-13-19(10-8-6-2)14-16(12-18)17(15,3)4/h15-16H,5-14H2,1-4H3/t15-,16+


name: Tedisamil
cas: 90961-53-8
dtxsid: DTXSID30238334
formula: C19H32N2
inchikey: CTIRHWCPXYGDGF-UHFFFAOYSA-N
norman_susdat_id: NS00068093
pubchem_cid: 65825
smiles: C1CCC2(C1)C1CN(CC3CC3)CC2CN(CC2CC2)C1
inchi:
InChI=1S/C19H32N2/c1-2-8-19(7-1)17-11-20(9-15-3-4-15)12-18(19)14-21(13-17)10-16-5-6-16/h15-18H,1-14H2


name: 3,7-dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
cas: 90961-84-5
dtxsid: DTXSID20920034
formula: C17H26N2O4
inchikey: KXRKLVSWBBGXQW-UHFFFAOYSA-N
norman_susdat_id: NS00064975
pubchem_cid: 10734617
smiles: O=C1N(C(=O)C2C(=O)N(C(=O)C1C2(C)C)CCCC)CCCC
inchi:
InChI=1/C17H26N2O4/c1-5-7-9-18-13(20)11-15(22)19(10-8-6-2)16(23)12(14(18)21)17(11,3)4/h11-12H,5-10H2,1-4H3


name: 4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide
cas: 909782-32-7
chemspiderid: 24778066
formula: C16H15N3O2S1
inchikey: KNNBCKCRMMYSKD-UHFFFAOYSA-N
norman_susdat_id: NS00001460
pubchem_cid: 102171410
smiles: CC1=NC2=C(C=CC=C2NS(=O)(=O)C3=CC=C(C=C3)N)C=C1
inchi:
InChI=1S/C16H15N3O2S/c1-11-5-6-12-3-2-4-15(16(12)18-11)19-22(20,21)14-9-7-13(17)8-10-14/h2-10,19H,17H2,1H3


cas: 909782-35-0
inchikey: PSYNKLMFCNBGAM-UHFFFAOYSA-N
norman_susdat_id: NS00077579
name:
4-[(4,6-Bis{[3-(diethylamino)propyl]amino}-1,3,5-triazin-2-yl)amino]-N-[2-(4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinolin-8-yl]benzenesulfonamide

smiles:
C(C)N(CCCNC1=NC(=NC(=N1)NCCCN(CC)CC)NC1=CC=C(C=C1)S(=O)(=O)NC=1C=CC=C2C=CC(=NC12)C1C(C2=C(C(=C(C(=C2C1=O)Cl)Cl)Cl)Cl)=O)CC


name: 2-((2-Methoxyphenyl)amino)-5-nitrobenzenesulphonic acid
cas: 91-27-0
chemspiderid: 60035
dtxsid: DTXSID80238349
formula: C13H12N2O6S1
inchikey: UVZAZEGYBWJOKY-UHFFFAOYSA-N
norman_susdat_id: NS00039391
pubchem_cid: 66668
smiles: COc1c(Nc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])cccc1
inchi:
InChI=1S/C13H12N2O6S/c1-21-12-5-3-2-4-10(12)14-11-7-6-9(15(16)17)8-13(11)22(18,19)20/h2-8,14H,1H3,(H,18,19,20)


name: 5-Nitro-2-p-toluidinobenzenesulphonic acid
cas: 91-28-1
chemspiderid: 60036
dtxsid: DTXSID90238350
formula: C13H12N2O5S1
inchikey: IXEBWGZZXCGASZ-UHFFFAOYSA-N
norman_susdat_id: NS00039392
pubchem_cid: 66669
smiles: Cc1ccc(Nc2c(cc(cc2)[N+](=O)[O-])S(=O)(=O)O)cc1
inchi:
InChI=1S/C13H12N2O5S/c1-9-2-4-10(5-3-9)14-12-7-6-11(15(16)17)8-13(12)21(18,19)20/h2-8,14H,1H3,(H,18,19,20)


name: Benzenesulfonic acid, 2-[(4-aminophenyl)amino]-5-nitro-
cas: 91-29-2
chemspiderid: 2514932
dtxsid: DTXSID1059020
formula: C12H11N3O5S1
inchikey: GSITZZUEHIPPMH-UHFFFAOYSA-N
norman_susdat_id: NS00039393
pubchem_cid: 3265240
smiles: Nc1ccc(Nc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])cc1
inchi:
InChI=1S/C12H11N3O5S/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(16)17)7-12(11)21(18,19)20/h1-7,14H,13H2,(H,18,19,20)


name: 5-Amino-2-(p-toluidino)benzenesulphonic acid
cas: 91-31-6
chemspiderid: 60038
dtxsid: DTXSID50238351
formula: C13H14N2O3S1
inchikey: SFRJKPJFXZQVIA-UHFFFAOYSA-N
norman_susdat_id: NS00039394
pubchem_cid: 66672
smiles: Cc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1
inchi:
InChI=1S/C13H14N2O3S/c1-9-2-5-11(6-3-9)15-12-7-4-10(14)8-13(12)19(16,17)18/h2-8,15H,14H2,1H3,(H,16,17,18)


name: Benzthiazide
cas: 91-33-8
chebiid: CHEBI:3047
chemspiderid: 2253
dtxsid: DTXSID4022658
formula: C15H14Cl1N3O4S3
inchikey: NDTSRXAMMQDVSW-UHFFFAOYSA-N
norman_susdat_id: NS00002522
pubchem_cid: 2343
smiles: NS(=O)(=O)c1cc2c(NC(CSCc3ccccc3)=NS2(=O)=O)cc1Cl
inchi:
InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)


name: C.I. Direct Yellow 4
cas: 91-34-9
chemspiderid: 4575465
dtxsid: DTXSID1059022
formula: C26H20N4O8S2
inchikey: HNJRBCJUHORNHV-UHFFFAOYSA-N
norman_susdat_id: NS00021383
pubchem_cid: NA
smiles: [O-]S(=O)(=O)c1c(/C=C/c2c(cc(NN=C3C=CC(=O)C=C3)cc2)S(=O)(=O)[O-])ccc(NN=C2C=CC(=O)C=C2)c1
inchi:
InChI=1S/C26H20N4O8S2/c31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20/h1-16,29-30H,(H,33,34,35)(H,36,37,38)/b2-1+


name: Benzoic acid, 2-[[(3-amino-4-hydroxyphenyl)sulfonyl]amino]-
cas: 91-35-0
chemspiderid: 4143
dtxsid: DTXSID6059023
formula: C13H12N2O5S1
inchikey: ISDVREGLMJJFJG-UHFFFAOYSA-N
norman_susdat_id: NS00004282
pubchem_cid: 4294
smiles: Nc1cc(ccc1O)S(=O)(=O)Nc1ccccc1C(O)=O
inchi:
InChI=1S/C13H12N2O5S/c14-10-7-8(5-6-12(10)16)21(19,20)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,14H2,(H,17,18)


name: Benzoic acid, 5-[[(2-carboxyphenyl)amino]sulfonyl]-2-chloro-
cas: 91-36-1
chemspiderid: 60039
dtxsid: DTXSID1059024
formula: C14H10Cl1N1O6S1
inchikey: XYUBQRPKIVSWKI-UHFFFAOYSA-N
norman_susdat_id: NS00039395
pubchem_cid: 66673
smiles: OC(=O)c1c(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2)cccc1
inchi:
InChI=1S/C14H10ClNO6S/c15-11-6-5-8(7-10(11)14(19)20)23(21,22)16-12-4-2-1-3-9(12)13(17)18/h1-7,16H,(H,17,18)(H,19,20)


name: Benzoic acid, 2-[[2-methyl-3-[4-(1-methylethyl)phenyl]propylidene]amino]-, methyl ester
cas: 91-50-9
chemspiderid: 91764
dtxsid: DTXSID70861685
formula: C21H25N1O2
inchikey: GPMKWOCILXNQON-HYARGMPZSA-N
norman_susdat_id: NS00012148
pubchem_cid: NA
smiles: COC(=O)c1ccccc1N=CC(C)Cc2ccc(cc2)C(C)C
inchi:
InChI=1S/C21H25NO2/c1-15(2)18-11-9-17(10-12-18)13-16(3)14-22-20-8-6-5-7-19(20)21(23)24-4/h5-12,14-16H,13H2,1-4H3


name: Methyl 2-[[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropylidene]amino]benzoate
cas: 91-51-0
chemspiderid: 58339
dtxsid: DTXSID2052609
formula: C22H27N1O2
inchikey: RBAUBIIMPLZNGC-HZHRSRAPSA-N
norman_susdat_id: NS00012054
pubchem_cid: NA
smiles: COC(=O)c1ccccc1N=CC(C)Cc2ccc(cc2)C(C)(C)C
inchi:
InChI=1S/C22H27NO2/c1-16(14-17-10-12-18(13-11-17)22(2,3)4)15-23-20-9-7-6-8-19(20)21(24)25-5/h6-13,15-16H,14H2,1-5H3


name: Benzenesulfonic acid, 4-[bis(phenylmethyl)amino]-
cas: 91-72-5
chemspiderid: 60046
dtxsid: DTXSID6059029
formula: C20H19N1O3S1
inchikey: DHRZHJZKNWAIJE-UHFFFAOYSA-N
norman_susdat_id: NS00039406
pubchem_cid: 66680
smiles: OS(=O)(=O)c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
inchi:
InChI=1S/C20H19NO3S/c22-25(23,24)20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,22,23,24)


name: Antazoline
cas: 91-75-8
chebiid: CHEBI:84115
chemspiderid: 2115
dtxsid: DTXSID3022613
formula: C17H19N3
inchikey: REYFJDPCWQRWAA-UHFFFAOYSA-N
norman_susdat_id: NS00008002
pubchem_cid: 2200
smiles: C(N(Cc1ccccc1)c1ccccc1)C1=NCCN1
inchi:
InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)


name: 1,3,5-Triazine, hexahydro-1,3,5-triphenyl-
cas: 91-78-1
chemspiderid: 6798
dtxsid: DTXSID5059032
formula: C21H21N3
inchikey: VASMRQAVWVVDPA-UHFFFAOYSA-N
norman_susdat_id: NS00039409
pubchem_cid: 7065
smiles: C1N(CN(CN1c1ccccc1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C21H21N3/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15H,16-18H2


name: Pyrrobutamine
cas: 91-82-7
chemspiderid: 4447659
dtxsid: DTXSID9023544
formula: C20H22Cl1N1
inchikey: WDYYVNNRTDZKAZ-XDHOZWIPSA-N
norman_susdat_id: NS00004449
pubchem_cid: 5284614
smiles: Clc1ccc(CC(=C/CN2CCCC2)c2ccccc2)cc1
inchi:
InChI=1S/C20H22ClN/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22/h1-3,6-12H,4-5,13-16H2/b19-12+


name: Pyrilamine
cas: 91-84-9
chebiid: CHEBI:6762
chemspiderid: 4818
dtxsid: DTXSID9023542
formula: C17H23N3O1
inchikey: YECBIJXISLIIDS-UHFFFAOYSA-N
norman_susdat_id: NS00008274
pubchem_cid: 4992
smiles: COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
inchi:
InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3


name: Thonzylamine
cas: 91-85-0
chebiid: CHEBI:104017
chemspiderid: 5258
dtxsid: DTXSID8043864
formula: C16H22N4O1
inchikey: GULNIHOSWFYMRN-UHFFFAOYSA-N
norman_susdat_id: NS00007410
pubchem_cid: 5457
smiles: COc1ccc(CN(CCN(C)C)c2ncccn2)cc1
inchi:
InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3


name: [2-(Dimethoxymethyl)-1-heptenyl]benzene
cas: 91-87-2
chemspiderid: 4777764
dtxsid: DTXSID1052612
formula: C16H24O2
inchikey: QCHZKUPVENJLAW-FYWRMAATSA-N
norman_susdat_id: NS00011961
pubchem_cid: 6005821
smiles: CCCCCC(=C/c1ccccc1)C(OC)OC
inchi:
InChI=1S/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13+


name: 2-Naphthalenecarboxamide, N,N'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3-hydroxy-
cas: 91-92-9
chemspiderid: 6801
dtxsid: DTXSID0059033
formula: C36H28N2O6
inchikey: AXUHYNGMYQMRRI-UHFFFAOYSA-N
norman_susdat_id: NS00021385
pubchem_cid: 7068
smiles: COc1cc(ccc1NC(=O)c1cc2ccccc2cc1O)c1cc(OC)c(NC(=O)c2cc3ccccc3cc2O)cc1
inchi:
InChI=1S/C36H28N2O6/c1-43-33-19-25(11-13-29(33)37-35(41)27-15-21-7-3-5-9-23(21)17-31(27)39)26-12-14-30(34(20-26)44-2)38-36(42)28-16-22-8-4-6-10-24(22)18-32(28)40/h3-20,39-40H,1-2H3,(H,37,41)(H,38,42)


name: Butanamide, N,N'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[3-oxo-
cas: 91-96-3
chemspiderid: 60052
dtxsid: DTXSID5059034
formula: C22H24N2O4
inchikey: CRRLDLPBQWRVGN-UHFFFAOYSA-N
norman_susdat_id: NS00001401
pubchem_cid: 66686
smiles: CC(=O)CC(=O)Nc1ccc(cc1C)-c1ccc(NC(=O)CC(C)=O)c(C)c1
inchi:
InChI=1S/C22H24N2O4/c1-13-9-17(5-7-19(13)23-21(27)11-15(3)25)18-6-8-20(14(2)10-18)24-22(28)12-16(4)26/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28)


name: Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]-
cas: 91-98-5
chemspiderid: 60053
dtxsid: DTXSID0059035
formula: C16H19N1O3S1
inchikey: QAHDKLRCWZENIP-UHFFFAOYSA-N
norman_susdat_id: NS00039420
pubchem_cid: 66687
smiles: CCN(Cc1cccc(c1)S(=O)(=O)O)c1cc(C)ccc1
inchi:
InChI=1S/C16H19NO3S/c1-3-17(15-8-4-6-13(2)10-15)12-14-7-5-9-16(11-14)21(18,19)20/h4-11H,3,12H2,1-2H3,(H,18,19,20)


name: Cholest-5-ene, 3-chloro-, (3.beta.)-
cas: 910-31-6
chemspiderid: 21427803
dtxsid: DTXSID90883602
formula: C27H45Cl1
inchikey: OTVRYZXVVMZHHW-UHFFFAOYSA-N
norman_susdat_id: NS00013457
pubchem_cid: 458088
smiles: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1


name: Tiocarlide [INN:BAN:DCF]
cas: 910-86-1
chebiid: CHEBI:135637
chemspiderid: 2272774
dtxsid: DTXSID70238358
formula: C23H32N2O2S1
inchikey: BWBONKHPVHMQHE-UHFFFAOYSA-N
norman_susdat_id: NS00006353
pubchem_cid: 3001386
smiles: CC(C)CCOc1ccc(NC(=S)Nc2ccc(OCCC(C)C)cc2)cc1
inchi:
InChI=1S/C23H32N2O2S/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28)


name: Sodium 1-carboxylatoethyl oleate
cas: 91023-18-6
formula: C21H38O4.Na
inchikey: NJNQEBLRUUXCCY-GMFCBQQYSA-M
norman_susdat_id: NS00092955
smiles: [Na+].CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)[O-]
inchi:
InChI=1/C21H38O4.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h10-11,19H,3-9,12-18H2,1-2H3,(H,23,24);/q;+1/p-1


name: Teichomycin A2 factor 2
cas: 91032-26-7
chemspiderid: 16736194
dtxsid: DTXSID30872358
formula: C88H97Cl2N9O33
inchikey: GHOXVFYORXUCPY-VPMXZCLFSA-N
norman_susdat_id: NS00011847
pubchem_cid: 16134397
inchi:
InChI=1S/C88H97Cl2N9O33/c1-33(2)8-6-4-5-7-9-60(108)94-68-74(113)71(110)58(31-101)129-87(68)132-78-55-25-40-26-56(78)126-52-17-13-38(23-47(52)90)77(131-86-67(92-34(3)103)73(112)70(109)57(30-100)128-86)69-84(121)98-66(85(122)123)45-28-42(105)29-54(127-88-76(115)75(114)72(111)59(32-102)130-88)61(45)44-22-37(12-14-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-20-41(104)27-43(21-39)124-53-24-36(11-15-50(53)107)62(91)80(117)93-48(79(116)95-64)19-35-10-16-51(125-55)46(89)18-35/h10-18,20-29,33,48,57-59,62-77,86-88,100-102,104-107,109-115H,4-9,19,30-32,91H2,1-3H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62+,63-,64+,65-,66-,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1

smiles:
CC(C)CCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2c3cc4cc2Oc5ccc(cc5Cl)[C@H]([C@H]6C(=O)N[C@H](c7cc(cc(c7-c8cc(ccc8O)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9c1cc(cc(c1)Oc1cc(ccc1O)[C@@H](C(=O)N[C@H](Cc1ccc(c(c1)Cl)O3)C(=O)N9)N)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)CO)O)O


name: Teichomycin A2 factor 1
cas: 91032-34-7
chemspiderid: 16736193
dtxsid: DTXSID90872359
formula: C88H95Cl2N9O33
inchikey: YMWQIYMUNZBOOV-DOZYEWNNSA-N
norman_susdat_id: NS00011843
pubchem_cid: 16134396
inchi:
InChI=1S/C88H95Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h7-8,11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-6,9-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/b8-7-/t48-,57-,58-,59-,62+,63-,64+,65-,66-,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1

smiles:
CCCCC/C=CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2c3cc4cc2Oc5ccc(cc5Cl)[C@H]([C@H]6C(=O)N[C@H](c7cc(cc(c7-c8cc(ccc8O)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9c1cc(cc(c1)Oc1cc(ccc1O)[C@@H](C(=O)N[C@H](Cc1ccc(c(c1)Cl)O3)C(=O)N9)N)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)CO)O)O


name: Teicoplanin
cas: 91032-36-9
chebiid: CHEBI:34996
chemspiderid: 17288587
dtxsid: DTXSID70872357
formula: C88H97Cl2N9O33
inchikey: BJNLLBUOHPVGFT-PKMGYIMSSA-N
norman_susdat_id: NS00098730
pubchem_cid: 17748671
inchi:
InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1

smiles:
CCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2c3cc4cc2Oc5ccc(cc5Cl)[C@H]([C@H]6C(=O)N[C@@H](c7cc(cc(c7-c8cc(ccc8O)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9c1cc(cc(c1)Oc1cc(ccc1O)[C@H](C(=O)N[C@H](Cc1ccc(c(c1)Cl)O3)C(=O)N9)N)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)CO)O)O


name: Teichomycin A2 factor 4
cas: 91032-37-0
chemspiderid: 16736196
dtxsid: DTXSID50872355
formula: C89H99Cl2N9O33
inchikey: KSPOYQQCANXEDC-CKUVJKMYSA-N
norman_susdat_id: NS00011844
pubchem_cid: 16134399
inchi:
InChI=1S/C89H99Cl2N9O33/c1-4-34(2)9-7-5-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t34?,49-,58-,59-,60-,63+,64-,65+,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78-,87+,88+,89+/m1/s1

smiles:
CCC(C)CCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2c3cc4cc2Oc5ccc(cc5Cl)[C@H]([C@H]6C(=O)N[C@H](c7cc(cc(c7-c8cc(ccc8O)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9c1cc(cc(c1)Oc1cc(ccc1O)[C@@H](C(=O)N[C@H](Cc1ccc(c(c1)Cl)O3)C(=O)N9)N)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)CO)O)O


name: Teichomycin A2 factor 5
cas: 91032-38-1
chemspiderid: 16736197
dtxsid: DTXSID10872356
formula: C89H99Cl2N9O33
inchikey: FHBQKTSCJKPYIO-OXIGXJDJSA-N
norman_susdat_id: NS00011845
pubchem_cid: 16134400
inchi:
InChI=1S/C89H99Cl2N9O33/c1-34(2)9-7-5-4-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t49-,58-,59-,60-,63+,64-,65+,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78-,87+,88+,89+/m1/s1

smiles:
CC(C)CCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2c3cc4cc2Oc5ccc(cc5Cl)[C@H]([C@H]6C(=O)N[C@H](c7cc(cc(c7-c8cc(ccc8O)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9c1cc(cc(c1)Oc1cc(ccc1O)[C@@H](C(=O)N[C@H](Cc1ccc(c(c1)Cl)O3)C(=O)N9)N)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)CO)O)O


name: Magnesium bis[heptadecafluorooctanesulphonate]
cas: 91036-71-4
formula: C8HF17O3S.1/2Mg
inchikey: KZCDJBJGWSCZRY-UHFFFAOYSA-L
norman_susdat_id: NS00092520
inchi:
InChI=1/2C8HF17O3S.Mg/c2*9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h2*(H,26,27,28);/q;;+2/p-2

smiles:
[Mg+2].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: PF-03550096
cas: 910376-39-5
chemspiderid: 21378519
formula: C19H28N4O4
inchikey: GGNIFXBIJCNXCT-CQSZACIVSA-N
norman_susdat_id: NS00017384
pubchem_cid: 24857887
smiles: CC(C)(C)C(C(=O)N)NC(=O)N1C2=CC=CC=C2N(C1=O)CCC(C)(C)O
inchi:
InChI=1S/C19H28N4O4/c1-18(2,3)14(15(20)24)21-16(25)23-13-9-7-6-8-12(13)22(17(23)26)11-10-19(4,5)27/h6-9,14,27H,10-11H2,1-5H3,(H2,20,24)(H,21,25)/t14-/m1/s1


name: N-(2-aminophenyl)-3-{1-[4-(1-methyl-1h-pyrazol-4-yl)benzenesulfonyl]-1h-pyrrol-3-yl}prop-2-enamide
cas: 910462-43-0
formula: C23H21N5O3S
inchikey: PRXXYMVLYKJITB-IZZDOVSWSA-N
norman_susdat_id: NS00072115
pubchem_cid: 15985904
smiles: Cn1cc(-c2ccc(S(=O)(=O)n3ccc(/C=C/C(=O)Nc4ccccc4N)c3)cc2)cn1
inchi:
InChI=1S/C23H21N5O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24/h2-16H,24H2,1H3,(H,26,29)/b11-6+


name: Simenepag Isopropyl
cas: 910562-13-9
formula: C26H35NO5S
inchikey: MSIIJNOQQWRTFC-GGAORHGYSA-N
norman_susdat_id: NS00072194
pubchem_cid: 46902081
smiles: CCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)OC(C)C)s2)cc1
inchi:
InChI=1S/C26H35NO5S/c1-4-5-6-7-23(28)19-8-10-20(11-9-19)27-21(12-15-25(27)29)16-31-17-22-13-14-24(33-22)26(30)32-18(2)3/h8-11,13-14,18,21,23,28H,4-7,12,15-17H2,1-3H3/t21-,23+/m1/s1


name: 4-[(1-carboxyethyl)carbamoyl]-4-[5-(1,2-dithiolan-3-yl)pentanamido]butanoic acid
cas: 910627-26-8
formula: C16H26N2O6S2
inchikey: MQXRTCVZPIHBLD-TUAOUCFPSA-N
norman_susdat_id: NS00072095
pubchem_cid: 49802864
smiles: C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCCC[C@@H]1CCSS1)C(=O)O
inchi:
InChI=1S/C16H26N2O6S2/c1-10(16(23)24)17-15(22)12(6-7-14(20)21)18-13(19)5-3-2-4-11-8-9-25-26-11/h10-12H,2-9H2,1H3,(H,17,22)(H,18,19)(H,20,21)(H,23,24)/t10-,11+,12-/m0/s1


name: Litronesib
cas: 910634-41-2
formula: C23H37N5O4S2
inchikey: YVAFBXLHPINSIK-QHCPKHFHSA-N
norman_susdat_id: NS00072777
smiles: CCNCCS(=O)(=O)NC[C@@]1(c2ccccc2)SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C
inchi:
InChI=1S/C23H37N5O4S2/c1-8-24-14-15-34(31,32)25-16-23(17-12-10-9-11-13-17)28(19(30)22(5,6)7)27-20(33-23)26-18(29)21(2,3)4/h9-13,24-25H,8,14-16H2,1-7H3,(H,26,27,29)/t23-/m0/s1


cas: 91081-09-3
dtxsid: DTXSID00881316
norman_susdat_id: NS00108864
name:
Quaternary ammonium compounds, (hydroxyethyl)dimethyl(gamma-mu-perfluoro-2-C8-14-alkenyl), chlorides


cas: 91081-99-1
dtxsid: DTXSID70107898
norman_susdat_id: NS00111200
name:
Sulfonamides, C4-8-alkane, perfluoro, N-(hydroxyethyl)-N-methyl, reaction products with epichlorohydrin, adipates (esters)


name: Clomiphene
cas: 911-45-5
chemspiderid: 1265969
dtxsid: DTXSID1022843
formula: C26H28Cl1N1O1
inchikey: GKIRPKYJQBWNGO-QPLCGJKRSA-N
norman_susdat_id: NS00008654
pubchem_cid: 1548955
smiles: CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25-


name: Etonitazene
cas: 911-65-9
chemspiderid: 12908
dtxsid: DTXSID6048919
formula: C22H28N4O3
inchikey: PXDBZSCGSQSKST-UHFFFAOYSA-N
norman_susdat_id: NS00039388
pubchem_cid: 13493
smiles: CCOc1ccc(Cc2nc3c(ccc(c3)[N+](=O)[O-])n2CCN(CC)CC)cc1
inchi:
InChI=1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3


name: N-alpha-benzoyl-4'-nitro-DL-argininanilide hydrochloride
cas: 911-77-3
dtxsid: DTXSID50883603
formula: C19H23N6O4
inchikey: RKDYKIHMFYAPMZ-UHFFFAOYSA-N
norman_susdat_id: NS00041612
pubchem_cid: 132562699
smiles: O=C(NC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])CCCNC(=N)N)C=2C=CC=CC2
inchi:
InChI=1/C19H22N6O4/c20-19(21)22-12-4-7-16(24-17(26)13-5-2-1-3-6-13)18(27)23-14-8-10-15(11-9-14)25(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,27)(H,24,26)(H4,20,21,22)


cas: 91101-21-2
formula: C22H17Cl2N5O6S2
inchikey: NJOYTYKWRUYHOV-UHFFFAOYSA-N
norman_susdat_id: NS00092320
smiles: O=S(=O)(Nc1ccccc1)c2cccc(c2)N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S(O)(=O)=O)C4=O
name:
2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[[3-[(phenylamino)sulphonyl]phenyl]azo]-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C22H17Cl2N5O6S2/c1-13-21(22(30)29(27-13)19-11-18(24)20(12-17(19)23)37(33,34)35)26-25-15-8-5-9-16(10-15)36(31,32)28-14-6-3-2-4-7-14/h2-12,21,28H,1H3,(H,33,34,35)


name: Decoglurant
cas: 911115-16-7
formula: C21H11F6N5
inchikey: DMJHZVARRXJSEG-UHFFFAOYSA-N
norman_susdat_id: NS00073378
pubchem_cid: 71533696
smiles: Nc1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cn1
inchi:
InChI=1S/C21H11F6N5/c22-20(23,24)15-6-4-13(5-7-15)16-9-17(21(25,26)27)32-19(31-16)14(11-30-32)3-1-12-2-8-18(28)29-10-12/h2,4-11H,(H2,28,29)


name: Rabusertib
cas: 911222-45-2
chebiid: CHEBI:124917
dtxsid: DTXSID50238417
formula: C18H22BrN5O3
inchikey: SYYBDNPGDKKJDU-ZDUSSCGKSA-N
norman_susdat_id: NS00072935
pubchem_cid: 11955855
smiles: Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1
inchi:
InChI=1S/C18H22BrN5O3/c1-11-5-16(27-10-13-8-20-3-4-26-13)15(6-14(11)19)23-18(25)24-17-9-21-12(2)7-22-17/h5-7,9,13,20H,3-4,8,10H2,1-2H3,(H2,22,23,24,25)/t13-/m0/s1


name: Sodium 2-(nonanoyloxy)benzenesulfonate
cas: 91125-43-8
chemspiderid: 152449
formula: C15H22O5S1
inchikey: QSKQNALVHFTOQX-UHFFFAOYSA-M
norman_susdat_id: NS00020718
pubchem_cid: 23665774
smiles: [Na+].CCCCCCCCC(=O)Oc1ccc(cc1)S(=O)(=O)O
inchi:
InChI=1S/C15H22O5S/c1-2-3-4-5-6-7-8-15(16)20-13-9-11-14(12-10-13)21(17,18)19/h9-12H,2-8H2,1H3,(H,17,18,19)


name: Nw-1172
cas: 911290-20-5
formula: C18H16ClNO3
inchikey: JMGUSOLCNQVZCT-UHFFFAOYSA-N
norman_susdat_id: NS00071228
pubchem_cid: 11616886
smiles: CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
inchi:
InChI=1S/C18H16ClNO3/c1-20-10-13-8-18(21)23-17-9-15(5-6-16(13)17)22-11-12-3-2-4-14(19)7-12/h2-9,20H,10-11H2,1H3


name: Terbinafine
cas: 91161-71-6
chebiid: CHEBI:9448
chemspiderid: 1266005
dtxsid: DTXSID2023640
formula: C21H25N1
inchikey: DOMXUEMWDBAQBQ-WEVVVXLNSA-N
norman_susdat_id: NS00000664
pubchem_cid: 1549008
smiles: CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21
inchi:
InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+


cas: 911637-19-9
chebiid: CHEBI:134731
formula: C18H19F8N5O2
inchikey: ZWPRRQZNBDYKLH-VIFPVBQESA-N
norman_susdat_id: NS00072914
pubchem_cid: 11953153
smiles: N[C@@H](CC(=O)N1CCc2c(nc(C(F)(F)F)nc2C(F)(F)F)C1)CN1CC(F)(F)CCC1=O
name:
1-{2-amino-4-[2,4-bis(trifluoromethyl)-5h,6h,7h,8h-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl}-5,5-difluoropiperidin-2-one

inchi:
InChI=1S/C18H19F8N5O2/c19-16(20)3-1-12(32)31(8-16)6-9(27)5-13(33)30-4-2-10-11(7-30)28-15(18(24,25)26)29-14(10)17(21,22)23/h9H,1-8,27H2/t9-/m0/s1


name: 2,2'-[sulphonylbis[(2,6-dichloro-4,1-phenylene)oxy]]bisethanol
cas: 91198-38-8
dtxsid: DTXSID90919894
formula: C16H14Cl4O6S
inchikey: WINCTAVQOYZBMR-UHFFFAOYSA-N
norman_susdat_id: NS00064640
pubchem_cid: 20318290
smiles: O=S(=O)(C1=CC(Cl)=C(OCCO)C(Cl)=C1)C2=CC(Cl)=C(OCCO)C(Cl)=C2
inchi:
InChI=1/C16H14Cl4O6S/c17-11-5-9(6-12(18)15(11)25-3-1-21)27(23,24)10-7-13(19)16(14(20)8-10)26-4-2-22/h5-8,21-22H,1-4H2


name: 9ß,11ß-epoxy-17,21-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-acetate
cas: 912-38-9
dtxsid: DTXSID10919891
formula: C24H30O6
inchikey: MONKXVNQUJNHLQ-LGLNQOIUSA-N
norman_susdat_id: NS00042007
pubchem_cid: 101904
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)C)C4(C)CC5OC532)C
inchi:
InChI=1/C24H30O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,28)19(27)12-29-14(2)25/h7-8,10,13,17-18,20,28H,5-6,9,11-12H2,1-4H3


name: Nandrolone cyclohexylpropionate
cas: 912-57-2
chebiid: CHEBI:31893
chemspiderid: 92068
dtxsid: DTXSID3057852
formula: C27H40O3
inchikey: TXLCJMHILCSZJG-QNTYDACNSA-N
norman_susdat_id: NS00039389
pubchem_cid: 101905
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCCC1
inchi:
InChI=1S/C27H40O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h17-18,21-25H,2-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1


name: Noscapine hydrochloride
cas: 912-60-7
formula: C22H23NO7.ClH
inchikey: MFLVZFXCSKVCSH-URBRKQAFSA-N
norman_susdat_id: NS00079565
smiles: Cl.COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5c(OC)c34
inchi:
InChI=1/C22H23NO7.ClH/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18;/h5-6,9,17-18H,7-8,10H2,1-4H3;1H


name: 4-cyanophenyl trans-4-(4-butylcyclohexyl)benzoate
cas: 91225-21-7
dtxsid: DTXSID00919885
formula: C24H27NO2
inchikey: QOUBQGAGYOVSAO-UHFFFAOYSA-N
norman_susdat_id: NS00064754
pubchem_cid: 3021774
smiles: N#CC1=CC=C(OC(=O)C2=CC=C(C=C2)C3CCC(CCCC)CC3)C=C1
inchi:
InChI=1/C24H27NO2/c1-2-3-4-18-5-9-20(10-6-18)21-11-13-22(14-12-21)24(26)27-23-15-7-19(17-25)8-16-23/h7-8,11-16,18,20H,2-6,9-10H2,1H3


name: Veliparib
cas: 912444-00-9
chebiid: CHEBI:62880
dtxsid: DTXSID90238456
formula: C13H16N4O
inchikey: JNAHVYVRKWKWKQ-CYBMUJFWSA-N
norman_susdat_id: NS00072993
pubchem_cid: 11960529
smiles: C[C@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1
inchi:
InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1


name: Selurampanel
cas: 912574-69-7
dtxsid: DTXSID00238467
formula: C16H19N5O4S
inchikey: MCECSFFXUPEPDB-UHFFFAOYSA-N
norman_susdat_id: NS00073383
smiles: CC(C)c1cc2[nH]c(=O)n(NS(C)(=O)=O)c(=O)c2cc1-c1ccnn1C
inchi:
InChI=1S/C16H19N5O4S/c1-9(2)10-8-13-12(7-11(10)14-5-6-17-20(14)3)15(22)21(16(23)18-13)19-26(4,24)25/h5-9,19H,1-4H3,(H,18,23)


name: Bis[N-[3-(dimethylamino)propyl]methacrylamide] sulphate
cas: 91263-67-1
formula: C9H18N2O.1/2H2O4S
inchikey: AZAAEUBSXMSVKL-UHFFFAOYSA-N
norman_susdat_id: NS00092170
smiles: CN(C)CCCNC(=O)C(=C)C.CN(C)CCCNC(=O)C(=C)C.OS(=O)(=O)O
inchi:
InChI=1/2C9H18N2O.H2O4S/c2*1-8(2)9(12)10-6-5-7-11(3)4;1-5(2,3)4/h2*1,5-7H2,2-4H3,(H,10,12);(H2,1,2,3,4)


name: Dodemorph I
cas: 91269-47-5
chemspiderid: 9993021
formula: C18H35NO
inchikey: JMXKCYUTURMERF-CALCHBBNSA-N
norman_susdat_id: NS00101005
pubchem_cid: 11818366
smiles: C[C@@H]1CN(C[C@@H](O1)C)C2CCCCCCCCCCC2
inchi:
InChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3/t16-,17+


name: 1H-1,2,4-Triazole-1-methanamine, N,N-bis(2-ethylhexyl)-
cas: 91273-04-0
chemspiderid: 143497
dtxsid: DTXSID40869077
formula: C19H38N4
inchikey: AVBBHCMDRGQBNW-UHFFFAOYSA-N
norman_susdat_id: NS00003155
pubchem_cid: 163595
smiles: CCCCC(CC)CN(CC(CC)CCCC)Cn1cncn1
inchi:
InChI=1S/C19H38N4/c1-5-9-11-18(7-3)13-22(17-23-16-20-15-21-23)14-19(8-4)12-10-6-2/h15-16,18-19H,5-14,17H2,1-4H3


name: ATM4 4-acetoxy analog
cas: 91295-74-8
chemspiderid: 10403006
formula: C23H25N1O5
inchikey: IQCNMUAWZXTDNZ-UHFFFAOYSA-N
norman_susdat_id: NS00017643
pubchem_cid: 23258168
smiles: CC(=O)N(C)CCC1=C2C=CC3=C(C2=CC(=C1)OC)C(=C(C=C3)OC)OC(=O)C
inchi:
InChI=1S/C23H25NO5/c1-14(25)24(3)11-10-17-12-18(27-4)13-20-19(17)8-6-16-7-9-21(28-5)23(22(16)20)29-15(2)26/h6-9,12-13H,10-11H2,1-5H3


name: Onalespib
cas: 912999-49-6
chebiid: CHEBI:140592
dtxsid: DTXSID80238485
formula: C24H31N3O3
inchikey: IFRGXKKQHBVPCQ-UHFFFAOYSA-N
norman_susdat_id: NS00072580
pubchem_cid: 11955716
smiles: CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O
inchi:
InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3


name: DL-2-benzamido-5-guanidino-N-2-naphthylvaleramide hydrochloride
cas: 913-04-2
chebiid: CHEBI:91069
formula: C23H25N5O2
inchikey: DEFAKPKFXYITPZ-UHFFFAOYSA-N
norman_susdat_id: NS00041997
pubchem_cid: 9365
smiles: O=C(NC(C(=O)NC=1C=CC=2C=CC=CC2C1)CCCNC(=N)N)C=3C=CC=CC3
inchi:
InChI=1/C23H25N5O2/c24-23(25)26-14-6-11-20(28-21(29)17-8-2-1-3-9-17)22(30)27-19-13-12-16-7-4-5-10-18(16)15-19/h1-5,7-10,12-13,15,20H,6,11,14H2,(H,27,30)(H,28,29)(H4,24,25,26)


name: Brexpiprazole
cas: 913611-97-9
chebiid: CHEBI:134716
dtxsid: DTXSID40238527
formula: C25H27N3O2S
inchikey: ZKIAIYBUSXZPLP-UHFFFAOYSA-N
norman_susdat_id: NS00073000
pubchem_cid: 11978813
smiles: O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1
inchi:
InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)


name: Bis(2,4-di-tert-butylphenyl) [1,1-biphenyl]-4-ylphosphonite
cas: 91362-37-7
dtxsid: DTXSID70919796
formula: C40H51O2P
inchikey: PKNOHCARANUOTJ-UHFFFAOYSA-N
norman_susdat_id: NS00064587
pubchem_cid: 14572932
smiles: O(C1=CC=C(C=C1C(C)(C)C)C(C)(C)C)P(OC2=CC=C(C=C2C(C)(C)C)C(C)(C)C)C=3C=CC(=CC3)C=4C=CC=CC4
inchi:
InChI=1/C40H51O2P/c1-37(2,3)30-20-24-35(33(26-30)39(7,8)9)41-43(32-22-18-29(19-23-32)28-16-14-13-15-17-28)42-36-25-21-31(38(4,5)6)27-34(36)40(10,11)12/h13-27H,1-12H3


name: Ls-193167
cas: 913623-69-5
formula: C19H17F6N5O
inchikey: NVVSPGQEXMJZIR-BMIGLBTASA-N
norman_susdat_id: NS00071157
pubchem_cid: 11974440
smiles: N[C@H]1CC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)=CC[C@@H]1c1cc(F)c(F)cc1F
inchi:
InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/t10-,15+/m1/s1


name: Tramadol met 4 -265
cas: 913718-95-3
chemspiderid: NA
formula: C15H23N1O3
inchikey: AJWYKQRQBJWATN-UHFFFAOYSA-N
norman_susdat_id: NS00000923
pubchem_cid: NA
smiles: C1(C(CN(C)C)CCCC1)(O)c2cc(O)ccc2O
inchi:
InChI=1S/C15H23NO3/c1-16(2)10-11-5-3-4-8-15(11,19)13-9-12(17)6-7-14(13)18/h6-7,9,11,17-19H,3-5,8,10H2,1-2H3


name: Ropinirole
cas: 91374-21-9
chebiid: CHEBI:8888
chemspiderid: 4916
dtxsid: DTXSID8045195
formula: C16H24N2O1
inchikey: UHSKFQJFRQCDBE-UHFFFAOYSA-N
norman_susdat_id: NS00008049
pubchem_cid: 5095
smiles: CCCN(CCC)CCc1cccc2NC(=O)Cc12
inchi:
InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)


name: Methacycline
cas: 914-00-1
chebiid: CHEBI:6805
chemspiderid: 10468596
dtxsid: DTXSID2023272
formula: C22H22N2O8
inchikey: MHIGBKBJSQVXNH-IWVLMIASSA-N
norman_susdat_id: NS00011900
pubchem_cid: NA
smiles: CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)C4=C(C(=CC=C4)O)C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O
inchi:
InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31)/t10-,14-,15+,17+,22+/m1/s1


cas: 91421-42-0
formula: C20H15N3O6
inchikey: GXSOIDVPIMWEQT-FQEVSTJZSA-N
norman_susdat_id: NS00070515
pubchem_cid: 11954380
smiles: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2[N+](=O)[O-]
name:
19-ethyl-19-hydroxy-10-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0?,?.0¹?,²?]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

inchi:
InChI=1S/C20H15N3O6/c1-2-20(26)13-7-15-16-11(8-22(15)18(24)12(13)9-29-19(20)25)17(23(27)28)10-5-3-4-6-14(10)21-16/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1


name: 9-Aminocamptothecin
cas: 91421-43-1
chebiid: CHEBI:80755
dtxsid: DTXSID10873202
formula: C20H17N3O4
inchikey: FUXVKZWTXQUGMW-FQEVSTJZSA-N
norman_susdat_id: NS00072207
pubchem_cid: 72402
smiles: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1
inchi:
InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1


name: (2S)-2-{Bis[4-(heptadecafluorooctyl)phenyl][(triethylsilyl)oxy]methyl}pyrrolidine
cas: 914391-37-0
dtxsid: DTXSID90896257
formula: C39H31F34NOSi
inchikey: PARYPNCCAOUHML-QFIPXVFZSA-N
norman_susdat_id: NS00112155
inchi:
InChI=1S/C39H31F34NOSi/c1-4-76(5-2,6-3)75-23(22-8-7-17-74-22,18-9-13-20(14-10-18)24(40,41)26(44,45)28(48,49)30(52,53)32(56,57)34(60,61)36(64,65)38(68,69)70)19-11-15-21(16-12-19)25(42,43)27(46,47)29(50,51)31(54,55)33(58,59)35(62,63)37(66,67)39(71,72)73/h9-16,22,74H,4-8,17H2,1-3H3/t22-/m0/s1

smiles:
CC[Si](CC)(CC)OC([C@@H]1CCCN1)(c1ccc(cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: JWH-145
cas: 914458-19-8
chemspiderid: 23277878
formula: C26H25N1O1
inchikey: JLXYYSHMURZHKI-UHFFFAOYSA-N
norman_susdat_id: NS00017325
pubchem_cid: 44418304
smiles: CCCCCN1C=C(C=C1C2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C26H25NO/c1-2-3-9-17-27-19-22(18-25(27)21-12-5-4-6-13-21)26(28)24-16-10-14-20-11-7-8-15-23(20)24/h4-8,10-16,18-19H,2-3,9,17H2,1H3


name: (1-Hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
cas: 914458-20-1
chemspiderid: 23277882
dtxsid: DTXSID00658823
formula: C27H27N1O1
inchikey: FRMYAMAGHYHNKF-UHFFFAOYSA-N
norman_susdat_id: NS00017532
pubchem_cid: 44418307
smiles: CCCCCCN1C=C(C=C1C2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C27H27NO/c1-2-3-4-10-18-28-20-23(19-26(28)22-13-6-5-7-14-22)27(29)25-17-11-15-21-12-8-9-16-24(21)25/h5-9,11-17,19-20H,2-4,10,18H2,1H3


name: JWH 146
cas: 914458-21-2
chemspiderid: 23277883
formula: C28H29N1O1
inchikey: JDBFNFBWXVCTSA-UHFFFAOYSA-N
norman_susdat_id: NS00017357
pubchem_cid: 44418308
smiles: CCCCCCCN1C=C(C=C1C2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C28H29NO/c1-2-3-4-5-11-19-29-21-24(20-27(29)23-14-7-6-8-15-23)28(30)26-18-12-16-22-13-9-10-17-25(22)26/h6-10,12-18,20-21H,2-5,11,19H2,1H3


name: JWH-370
cas: 914458-22-3
chemspiderid: 23277889
formula: C27H27N1O1
inchikey: HZMLAMXVETUEJZ-UHFFFAOYSA-N
norman_susdat_id: NS00017579
pubchem_cid: 44418312
smiles: CCCCCN1C=C(C=C1C2=CC=CC=C2C)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C27H27NO/c1-3-4-9-17-28-19-22(18-26(28)23-14-7-5-11-20(23)2)27(29)25-16-10-13-21-12-6-8-15-24(21)25/h5-8,10-16,18-19H,3-4,9,17H2,1-2H3


name: [5-(2-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl](naphthalen-1-yl)methanone
cas: 914458-26-7
chemspiderid: 13178178
dtxsid: DTXSID60581542
formula: C26H24F1N1O1
inchikey: WYNZPDDTQGVCLZ-UHFFFAOYSA-N
norman_susdat_id: NS00007393
pubchem_cid: 16049783
smiles: CCCCCn1cc(cc1-c1ccccc1F)C(=O)c1cccc2ccccc12
inchi:
InChI=1S/C26H24FNO/c1-2-3-8-16-28-18-20(17-25(28)23-13-6-7-15-24(23)27)26(29)22-14-9-11-19-10-4-5-12-21(19)22/h4-7,9-15,17-18H,2-3,8,16H2,1H3


name: JWH-369
cas: 914458-27-8
chemspiderid: 13178179
formula: C26H24Cl1N1O1
inchikey: SUELCWQJMQQCTF-UHFFFAOYSA-N
norman_susdat_id: NS00017327
pubchem_cid: 16049784
smiles: CCCCCN1C=C(C=C1C2=CC=CC=C2Cl)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C26H24ClNO/c1-2-3-8-16-28-18-20(17-25(28)23-13-6-7-15-24(23)27)26(29)22-14-9-11-19-10-4-5-12-21(19)22/h4-7,9-15,17-18H,2-3,8,16H2,1H3


name: [5-(3-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl](naphthalen-1-yl)methanone
cas: 914458-31-4
chemspiderid: 23277909
dtxsid: DTXSID60658824
formula: C26H24F1N1O1
inchikey: OCOICOMCAJNSCA-UHFFFAOYSA-N
norman_susdat_id: NS00017665
pubchem_cid: 44418331
smiles: CCCCCN1C=C(C=C1C2=CC(=CC=C2)F)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C26H24FNO/c1-2-3-6-15-28-18-21(17-25(28)20-11-7-12-22(27)16-20)26(29)24-14-8-10-19-9-4-5-13-23(19)24/h4-5,7-14,16-18H,2-3,6,15H2,1H3


name: [5-(4-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl](naphthalen-1-yl)methanone
cas: 914458-39-2
dtxsid: DTXSID20658825
formula: C26H24FNO
inchikey: PJNACIYIFHTDCK-UHFFFAOYSA-N
norman_susdat_id: NS00067996
smiles: CCCCCN1C=C(C=C1C1=CC=C(F)C=C1)C(=O)C1=CC=CC2=CC=CC=C12
inchi:
InChI=1S/C26H24FNO/c1-2-3-6-16-28-18-21(17-25(28)20-12-14-22(27)15-13-20)26(29)24-11-7-9-19-8-4-5-10-23(19)24/h4-5,7-15,17-18H,2-3,6,16H2,1H3


name: JWH-309
cas: 914458-42-7
chemspiderid: 23277951
formula: C30H27N1O1
inchikey: WVISOUYKTUUDFW-UHFFFAOYSA-N
norman_susdat_id: NS00017533
pubchem_cid: 44418371
smiles: CCCCCN1C=C(C=C1C2=CC=CC3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54
inchi:
InChI=1S/C30H27NO/c1-2-3-8-19-31-21-24(30(32)28-18-10-14-23-12-5-7-16-26(23)28)20-29(31)27-17-9-13-22-11-4-6-15-25(22)27/h4-7,9-18,20-21H,2-3,8,19H2,1H3


name: Rolapitant
cas: 914462-92-3
chebiid: CHEBI:90908
dtxsid: DTXSID90203740
formula: C25H26F6N2O2
inchikey: FIVSJYGQAIEMOC-ZGNKEGEESA-N
norman_susdat_id: NS00069291
pubchem_cid: 10311306
smiles: C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
inchi:
InChI=1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34)/t16-,22-,23-/m1/s1


name: dealkylated valsartan
cas: 914465-68-2
chemspiderid: NA
formula: C19H21N5O1
inchikey: ITGGVGCXYNXXQB-UHFFFAOYSA-N
norman_susdat_id: NS00009835
pubchem_cid: 23504662
smiles: CCCCC(=O)NCc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
inchi:
InChI=1S/C19H21N5O/c1-2-3-8-18(25)20-13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)19-21-23-24-22-19/h4-7,9-12H,2-3,8,13H2,1H3,(H,20,25)(H,21,22,23,24)


name: λ-Cyhalothrin
cas: 91465-08-6
chebiid: CHEBI:39323
chemspiderid: 4940261
dtxsid: DTXSID7032559
formula: C23H19ClF3NO3
inchikey: ZXQYGBMAQZUVMI-GCMPRSNUSA-N
norman_susdat_id: NS00096382
pubchem_cid: 6435500
smiles: CC1(C)[C@@H](\C=C(/Cl)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1
inchi:
I1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/s2


name: 1,2-Benzenedicarboxylic acid, methyl octyl ester
cas: 91485-83-5
chemspiderid: 4929967
dtxsid: DTXSID50423705
formula: C17H24O4
inchikey: SJMMDRTYFFDPBJ-UHFFFAOYSA-N
norman_susdat_id: NS00010813
pubchem_cid: 6424476
smiles: C(C1=CC=CC=C1C(=O)OCCCCCCCC)(=O)OC
inchi:
InChI=1S/C17H24O4/c1-3-4-5-6-7-10-13-21-17(19)15-12-9-8-11-14(15)16(18)20-2/h8-9,11-12H,3-7,10,13H2,1-2H3


name: Palomid 529
cas: 914913-88-5
formula: C24H22O6
inchikey: YEAHTLOYHVWAKW-AWEZNQCLSA-N
norman_susdat_id: NS00072531
pubchem_cid: 76960598
smiles: COc1ccc(COc2cc3oc(=O)c4cc([C@H](C)O)ccc4c3cc2OC)cc1
inchi:
InChI=1S/C24H22O6/c1-14(25)16-6-9-18-19-11-22(28-3)23(12-21(19)30-24(26)20(18)10-16)29-13-15-4-7-17(27-2)8-5-15/h4-12,14,25H,13H2,1-3H3/t14-/m0/s1


name: BETA-SITOSTERYL ACET- ATE
cas: 915-05-9
chemspiderid: 454631
formula: C31H52O2
inchikey: PBWOIPCULUXTNY-UHFFFAOYSA-N
norman_susdat_id: NS00013410
pubchem_cid: 521199
smiles: CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C
inchi:
InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1


name: Diphenoxylate
cas: 915-30-0
chebiid: CHEBI:4639
chemspiderid: 12919
dtxsid: DTXSID8022951
formula: C30H32N2O2
inchikey: HYPPXZBJBPSRLK-UHFFFAOYSA-N
norman_susdat_id: NS00002103
pubchem_cid: 13505
smiles: CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
inchi:
InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3


name: 12-oxo-5-a-spirostan-3-ß-yl acetate
cas: 915-35-5
dtxsid: DTXSID90919692
formula: C28H42O5
inchikey: LQHPUHRUAHGURO-UHFFFAOYSA-N
norman_susdat_id: NS00042017
pubchem_cid: NA
smiles: O=C(OC1CCC2(C)C(CCC3C2CC(=O)C4(C)C3CC5OC6(OCCCC6)C(C)C54)C1)C
inchi:
InChI=1/C28H42O5/c1-16-25-23(33-28(16)10-5-6-12-31-28)14-22-20-8-7-18-13-19(32-17(2)29)9-11-26(18,3)21(20)15-24(30)27(22,25)4/h16,18-23,25H,5-15H2,1-4H3


name: Amaranth
cas: 915-67-3
chemspiderid: 4583075
dtxsid: DTXSID2021232
formula: C20H14N2O10S3
inchikey: IPVTTYAHKXZGCQ-ZBJSNUHESA-N
norman_susdat_id: NS00013481
pubchem_cid: 5473445
inchi:
InChI=1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,21H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-19+;;;

smiles:
[Na+].[Na+].[Na+].[O-][S](=O)(=O)c1ccc2c(c1)C=C(C(=O)/C2=N/Nc3ccc(c4ccccc34)[S]([O-])(=O)=O)[S]([O-])(=O)=O


name: 2,4,6-Tris(heptafluoropropyl)-1,3,5-triazine
cas: 915-76-4
chemspiderid: 63371
dtxsid: DTXSID50238598
formula: C12F21N3
inchikey: KXQUYHRRCVECPV-UHFFFAOYSA-N
norman_susdat_id: NS00019306
pubchem_cid: 70185
smiles: FC(F)(F)C(F)(F)C(F)(F)C1=NC(=NC(=N1)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12F21N3/c13-4(14,7(19,20)10(25,26)27)1-34-2(5(15,16)8(21,22)11(28,29)30)36-3(35-1)6(17,18)9(23,24)12(31,32)33


name: Dactolisib
cas: 915019-65-7
chebiid: CHEBI:71952
dtxsid: DTXSID10238599
formula: C30H23N5O
inchikey: JOGKUKXHTYWRGZ-UHFFFAOYSA-N
norman_susdat_id: NS00071714
pubchem_cid: 11977753
smiles: Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21
inchi:
InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3


name: Enzalutamide
cas: 915087-33-1
chebiid: CHEBI:68534
chemspiderid: 13093347
formula: C21H16F4N4O2S1
inchikey: WXCXUHSOUPDCQV-UHFFFAOYSA-N
norman_susdat_id: NS00040668
pubchem_cid: 15951529
smiles: CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
inchi:
InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)


name: (2-Chloro-5-iodophenyl)[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methanone
cas: 915095-87-3
chemspiderid: 72380681
formula: C17H14Cl1I1O3
inchikey: WBBJCIOCSVFCNI-UHFFFAOYSA-N
norman_susdat_id: NS00001625
pubchem_cid: NA
smiles: O=C(C1=CC(I)=CC=C1Cl)C1C=CC(=CC=1)OC1COCC1
inchi:
InChI=1S/C17H14ClIO3/c18-16-6-3-12(19)9-15(16)17(20)11-1-4-13(5-2-11)22-14-7-8-21-10-14/h1-6,9,14H,7-8,10H2


name: (S)-3-[4-(2-Chlor-5-iod-benzyl)-phenoxy]-tetrahydro-furan
cas: 915095-94-2
chemspiderid: 13083719
formula: C17H16Cl1I1O2
inchikey: YLUHNGIWRCCQMQ-UHFFFAOYSA-N
norman_susdat_id: NS00004210
pubchem_cid: 15941041
smiles: Clc1ccc(I)cc1Cc1ccc(OC2CCOC2)cc1
inchi:
InChI=1S/C17H16ClIO2/c18-17-6-3-14(19)10-13(17)9-12-1-4-15(5-2-12)21-16-7-8-20-11-16/h1-6,10,16H,7-9,11H2


name: MF498
cas: 915191-42-3
chemspiderid: 13090162
formula: C32H33N3O7S1
inchikey: WVLIUERFVJYBNY-UHFFFAOYSA-N
norman_susdat_id: NS00016774
pubchem_cid: 15948325
smiles: CCOC1=C2CN(C(=O)C2=C(C3=C1N=CC=C3)OCC)C4=C(C=C(C=C4)CS(=O)(=O)NC(=O)CC5=CC=CC=C5OC)C
inchi:
InChI=1S/C32H33N3O7S/c1-5-41-30-23-11-9-15-33-29(23)31(42-6-2)24-18-35(32(37)28(24)30)25-14-13-21(16-20(25)3)19-43(38,39)34-27(36)17-22-10-7-8-12-26(22)40-4/h7-16H,5-6,17-19H2,1-4H3,(H,34,36)


name: SCH-900271
cas: 915210-50-3
dtxsid: DTXSID00238609
formula: C14H16N2O4
inchikey: ARJKMWXLIHZLQZ-UHFFFAOYSA-N
norman_susdat_id: NS00073129
smiles: CC1(CCCc2cc(=O)oc3nc(O)[nH]c(=O)c23)CC1
inchi:
InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)


cas: 91523-05-6
formula: C22H28O5
inchikey: SVYCRJXQZUCUND-PQXSVQADSA-N
norman_susdat_id: NS00069921
pubchem_cid: 124653
smiles: C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
name:
14-hydroxy-14-(2-hydroxyacetyl)-2,8,15-trimethyltetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-3,6-diene-5,17-dione

inchi:
InChI=1S/C22H28O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,19,23,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,19+,20-,21-,22-/m0/s1


name: Timolol hemihydrate
cas: 91524-16-2
chebiid: CHEBI:60787
dtxsid: DTXSID70238611
formula: C26H50N8O7S2
inchikey: TWBNMYSKRDRHAT-RCWTXCDDSA-N
norman_susdat_id: NS00076385
smiles: O.CC(C)(C)NC[C@H](O)COC1=NSN=C1N1CCOCC1.CC(C)(C)NC[C@H](O)COC1=NSN=C1N1CCOCC1
inchi:
InChI=1S/2C13H24N4O3S.H2O/c2*1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;/h2*10,14,18H,4-9H2,1-3H3;1H2/t2*10-;/m00./s1


name: Phosphorane, difluorotris(nonafluorobutyl)-
cas: 91543-34-9
dtxsid: DTXSID20433053
formula: C12F29P
inchikey: KINYELQWZVVDLB-UHFFFAOYSA-N
norman_susdat_id: NS00109521
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)P(F)(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12F29P/c13-1(14,7(25,26)27)4(19,20)10(34,35)42(40,41,11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33


name: 6,7,8,9-tetrahydro-2,12-dimethoxy-7-methyl-6-phenethyl-5H-dibenz[d,f]azonin-1-ol hydrochloride
cas: 91574-89-9
dtxsid: DTXSID40919647
formula: C27H31NO3
inchikey: JTGDTQLVMHZOHX-UHFFFAOYSA-N
norman_susdat_id: NS00064496
pubchem_cid: 71161
smiles: Cl.OC1=C(OC)C=CC2=C1C3=CC(OC)=CC=C3CCN(C)C(C2)CCC=4C=CC=CC4
inchi:
InChI=1/C27H31NO3.ClH/c1-28-16-15-20-10-13-23(30-2)18-24(20)26-21(11-14-25(31-3)27(26)29)17-22(28)12-9-19-7-5-4-6-8-19;/h4-8,10-11,13-14,18,22,29H,9,12,15-17H2,1-3H3;1H


name: Tributyltetradecylphosphonium
cas: 91582-83-1
chemspiderid: 159762
dtxsid: DTXSID6047995
formula: C26H56P1
inchikey: YCBRTSYWJMECAH-UHFFFAOYSA-N
norman_susdat_id: NS00040879
pubchem_cid: 183729
smiles: CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC
inchi:
InChI=1S/C26H56P/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4/h5-26H2,1-4H3/q+1


name: Momordicine I
cas: 91590-76-0
chebiid: CHEBI:175720
chemspiderid: 58802196
formula: C30H48O4
inchikey: QBXNBPFTVLJTMK-UHFFFAOYNA-N
norman_susdat_id: NS00067907
pubchem_cid: 101293615
inchi:
InChI=1S/C30H48O4/c1-18(2)14-20(32)15-19(3)21-10-11-29(7)26-24(33)16-23-22(8-9-25(34)27(23,4)5)30(26,17-31)13-12-28(21,29)6/h14,16-17,19-22,24-26,32-34H,8-13,15H2,1-7H3/t19-,20?,21-,22-,24+,25+,26+,28-,29+,30-/m1/s1


cas: 916047-16-0
chemspiderid: 13091221
dtxsid: DTXSID80580279
formula: C20H13Cl2F1N2O5
inchikey: IXKFWNVFUXXEFY-UHFFFAOYSA-N
norman_susdat_id: NS00016787
pubchem_cid: 15949395
smiles: C1C(=O)N(C(=O)C12C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O)CC4=C(C=CC(=C4)Cl)F
name:
{5-Chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidin]-1(2H)-yl}acetic acid

inchi:
InChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)


cas: 916055-93-1
formula: C21H26NO4
inchikey: JVLBPIPGETUEET-WIXLDOGYSA-O
norman_susdat_id: NS00073640
pubchem_cid: 16089915
smiles: C[N@+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
name:
4-(cyclopropylmethyl)-10,17-dihydroxy-4-methyl-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0?,¹?.0?,¹?]octadeca-7,9,11(18)-trien-4-ium

inchi:
InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22-/m1/s1


name: Naldemedine
cas: 916072-89-4
formula: C32H34N4O6
inchikey: AXQACEQYCPKDMV-RZAWKFBISA-N
norman_susdat_id: NS00073301
pubchem_cid: 54732242
smiles: CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1
inchi:
InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1


name: ((Perfluoro-13-methyltetradecyl)ethyl) acrylate
cas: 91615-22-4
chemspiderid: 17333908
dtxsid: DTXSID80238647
formula: C20H7F31O2
inchikey: VCEPSAITQNAZCU-UHFFFAOYSA-N
norman_susdat_id: NS00011003
pubchem_cid: 16205716
inchi:
InChI=1S/C20H7F31O2/c1-2-5(52)53-4-3-6(21,22)8(24,25)10(28,29)12(32,33)14(36,37)16(40,41)18(44,45)17(42,43)15(38,39)13(34,35)11(30,31)9(26,27)7(23,19(46,47)48)20(49,50)51/h2H,1,3-4H2

smiles:
C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)COC(=O)C=C


cas: 91621-32-8
formula: C18H20N4O2S.2ClH
inchikey: YMRVRQCKTSRFEW-UHFFFAOYSA-N
norman_susdat_id: NS00092192
smiles: Cl.Cl.Cc1ccc(CC2=CNC(=NC2=O)NCCSCc3occc3)cn1
name:
2-[[2-[(2-furylmethyl)thio]ethyl]amino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-4-one dihydrochloride

inchi:
InChI=1/C18H20N4O2S.2ClH/c1-13-4-5-14(10-20-13)9-15-11-21-18(22-17(15)23)19-6-8-25-12-16-3-2-7-24-16;;/h2-5,7,10-11H,6,8-9,12H2,1H3,(H2,19,21,22,23);2*1H


name: Coriatin
cas: 91653-75-7
chebiid: CHEBI:132863
chemspiderid: 10252020
formula: C15H20O6
inchikey: LGZSARJAXHVXEV-YEJVQPDVSA-N
norman_susdat_id: NS00067901
pubchem_cid: 73813185
inchi:
InChI=1S/C15H20O6/c1-12(2,17)7-6-4-13(3)14(5-19-14)9-10(21-9)15(13,18)8(7)11(16)20-6/h6-10,17-18H,4-5H2,1-3H3


name: Octadecanoic acid, 12-hydroxy-, aluminum salt, basic
cas: 91672-10-5
formula: -
inchikey: XYYSLPLEABHFRW-UHFFFAOYSA-M
norman_susdat_id: NS00092494
smiles: [Al+3].CCCCCCC(O)CCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H36O3.Al/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+3/p-1


name: Glucosamine 6-sulfate
cas: 91674-26-9
chebiid: CHEBI:133343
chemspiderid: 749
formula: C6H13N1O8S1
inchikey: MTDHILKWIRSIHB-QZABAPFNSA-N
norman_susdat_id: NS00014993
pubchem_cid: 72361
smiles: C(C1C(C(C(C(O1)O)N)O)O)OS(=O)(=O)O
inchi:
InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13)/t2-,3-,4-,5-,6-/m1/s1


name: 2-Chloro-4,6-bis[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]-1,3,5-triazine
cas: 916770-15-5
chemspiderid: 17345683
dtxsid: DTXSID20584837
formula: C21H12Cl1F26N3O2
inchikey: CBCNBGCPSUHKHN-UHFFFAOYSA-N
norman_susdat_id: NS00019307
pubchem_cid: 16218247
inchi:
InChI=1S/C21H12ClF26N3O2/c22-7-49-8(52-5-1-3-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(43,44)45)51-9(50-7)53-6-2-4-11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)21(46,47)48/h1-6H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCOC1=NC(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=NC(Cl)=N1


name: Octadecen-1-ol, phosphate, potassium salt
cas: 91697-15-3
formula: -
inchikey: NEDSNWKGHFDNET-UHFFFAOYSA-L
norman_susdat_id: NS00092517
smiles: [K+].[O-]P([O-])(=O)OC=CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C18H37O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h17-18H,2-16H2,1H3,(H2,19,20,21);/q;+1/p-2


name: Octadecen-1-ol, phosphate, sodium salt
cas: 91697-16-4
formula: -
inchikey: QRESWVGOWWEGDP-UHFFFAOYSA-L
norman_susdat_id: NS00092518
smiles: [Na+].[O-]P([O-])(=O)OC=CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C18H37O4P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h17-18H,2-16H2,1H3,(H2,19,20,21);/q;+1/p-2


name: Enniatin B
cas: 917-13-5
chebiid: CHEBI:64649
chemspiderid: 144430
dtxsid: DTXSID30891862
formula: C33H57N3O9
inchikey: MIZMDSVSLSIMSC-VYLWARHZSA-N
norman_susdat_id: NS00094905
pubchem_cid: 164754
inchi:
InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1

smiles:
CC(C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C


name: 21H,23H-Porphine, 5,10,15,20-tetraphenyl-
cas: 917-23-7
chemspiderid: 21171760
dtxsid: DTXSID2061272
formula: C44H30N4
inchikey: YNHJECZULSZAQK-UHFFFAOYSA-N
norman_susdat_id: NS00039405
pubchem_cid: NA
smiles: [nH]1c2ccc1C(=C1C=CC(=N1)C(=C1C=CC(=N1)C(=c1[nH]c(=C2c2ccccc2)cc1)c1ccccc1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C44H30N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,45-46H/b41-33-,41-34?,42-35?,42-37?,43-36-,43-38-,44-39-,44-40?


name: Bromfenac
cas: 91714-94-2
chebiid: CHEBI:240107
chemspiderid: 54730
dtxsid: DTXSID7040655
formula: C15H12Br1N1O3
inchikey: ZBPLOVFIXSTCRZ-UHFFFAOYSA-N
norman_susdat_id: NS00040696
pubchem_cid: 60726
smiles: Nc1c(CC(O)=O)cccc1C(=O)c1ccc(Br)cc1
inchi:
InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)


name: Bis(2-ethylhexyl) hydrogen phosphate, compound with 2-aminoethanol (1:1)
cas: 91731-99-6
formula: C16H35O4P.C2H7NO
inchikey: QLPAUYNUTUADDO-UHFFFAOYSA-N
norman_susdat_id: NS00091780
smiles: CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.NCCO
inchi:
InChI=1/C16H35O4P.C2H7NO/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;3-1-2-4/h15-16H,5-14H2,1-4H3,(H,17,18);4H,1-3H2


name: Letermovir
cas: 917389-32-3
dtxsid: DTXSID40238683
formula: C29H28F4N4O4
inchikey: FWYSMLBETOMXAG-QHCPKHFHSA-N
norman_susdat_id: NS00073296
pubchem_cid: 45138674
smiles: COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
inchi:
InChI=1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14-12-35)28-34-27-21(7-4-8-22(27)30)23(17-26(38)39)37(28)24-15-18(29(31,32)33)9-10-25(24)41-2/h3-10,15-16,23H,11-14,17H2,1-2H3,(H,38,39)/t23-/m0/s1


name: Methyl 4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoate
cas: 917392-54-2
chemspiderid: 24609225
dtxsid: DTXSID40589940
formula: C18H16N4O2
inchikey: BECBKQYLJDEVDN-UHFFFAOYSA-N
norman_susdat_id: NS00008500
pubchem_cid: 17748019
smiles: COC(=O)c1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
inchi:
InChI=1S/C18H16N4O2/c1-12-5-6-13(17(23)24-2)10-16(12)22-18-20-9-7-15(21-18)14-4-3-8-19-11-14/h3-11H,1-2H3,(H,20,21,22)


cas: 91745-16-3
dtxsid: DTXSID90881320
norman_susdat_id: NS00111972
name:
Alcohols, C8-14, .gamma.-.omega.-perfluoro, reaction products with 5,5'-carbonylbis[1,3-bisbenzofurandione] and epichlorohydrin


name: Amines, bis(hydrogenated tallow alkyl), 2-[[bis(hydrogenated tallow alkyl)amino]carbonyl]benzoates
cas: 91745-35-6
inchikey: CGRJPRAHSAODLA-UHFFFAOYSA-N
norman_susdat_id: NS00078774
smiles:
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)OC(=O)c1ccccc1


cas: 91745-46-9
dtxsid: DTXSID40108635
norman_susdat_id: NS00076081
name:
Amines, C12-14-alkyl, reaction products with hexanol, phosphorus oxide (P2O5), phosphorus sulfide (P2S5) and propylene oxide


cas: 917805-85-7
inchikey: NQTASEKZJLHSQU-UHFFFAOYSA-N
norman_susdat_id: NS00078491
smiles: CC(C)(C)CC(C)(C)[NH3+].CC(C)c1nc(nc(-c2ccc(F)cc2)c1C=CC(O)CC(O)CC([O-])=O)N(C)S(C)(=O)=O
name:
2,4,4-trimethylpentan-2-aminium (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate


name: 1,2,3,4-Butanetetracarboxylic acid, 1,2,3,4-tetrakis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester
cas: 91788-83-9
dtxsid: DTXSID70869085
formula: C48H86N4O8
inchikey: WUPCFMITFBVJMS-UHFFFAOYSA-N
norman_susdat_id: NS00112627
inchi:
InChI=1/C48H86N4O8/c1-41(2)23-31(24-42(3,4)49(41)17)57-37(53)21-35(39(55)59-33-27-45(9,10)51(19)46(11,12)28-33)36(40(56)60-34-29-47(13,14)52(20)48(15,16)30-34)22-38(54)58-32-25-43(5,6)50(18)44(7,8)26-32/h31-36H,21-30H2,1-20H3

smiles:
CN1C(C)(C)CC(CC1(C)C)OC(=O)CC(C(CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1


name: 3-Benzamido-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide
cas: 917920-92-4
dtxsid: DTXSID50846778
formula: C18H13F7N2O2
inchikey: UFNWGGMBQYWKGS-UHFFFAOYSA-N
norman_susdat_id: NS00110587
smiles: FC(F)(F)C(F)(F)C(F)(F)CNC(=O)C1=CC(NC(=O)C2=CC=CC=C2)=CC=C1
inchi:
InChI=1S/C18H13F7N2O2/c19-16(20,17(21,22)18(23,24)25)10-26-14(28)12-7-4-8-13(9-12)27-15(29)11-5-2-1-3-6-11/h1-9H,10H2,(H,26,28)(H,27,29)


name: 1,1'-diheptyl-4,4'-bipyridinium diphosphinate
cas: 91795-60-7
formula: C24H38N2.2H2O2P
inchikey: KWPOEHWZLDZCBA-UHFFFAOYSA-L
norman_susdat_id: NS00092092
smiles: CCCCCCC[n+]1ccc(cc1)c2cc[n+](CCCCCCC)cc2.[O-]P=O.[O-]P=O
inchi:
InChI=1/C24H38N2.2HO2P/c1-3-5-7-9-11-17-25-19-13-23(14-20-25)24-15-21-26(22-16-24)18-12-10-8-6-4-2;2*1-3-2/h13-16,19-22H,3-12,17-18H2,1-2H3;2*(H,1,2)/q+2;;/p-2


name: 3-hydroxy-N-[3-(morpholino)propyl]naphthalene-2-carboxamide hydrochloride
cas: 91795-66-3
formula: C18H22N2O3.ClH
inchikey: MAFDNVDQWFNNGE-UHFFFAOYSA-N
norman_susdat_id: NS00091457
smiles: Cl.Oc1cc2ccccc2cc1C(=O)NCCCN3CCOCC3
inchi:
InChI=1/C18H22N2O3.ClH/c21-17-13-15-5-2-1-4-14(15)12-16(17)18(22)19-6-3-7-20-8-10-23-11-9-20;/h1-2,4-5,12-13,21H,3,6-11H2,(H,19,22);1H


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-9-iodopentadecane
cas: 918-32-1
dtxsid: DTXSID60895272
formula: C15H16F15I
inchikey: DUVMOWIYGIOIKQ-UHFFFAOYSA-N
norman_susdat_id: NS00111026
smiles: CCCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C15H16F15I/c1-2-3-4-5-6-8(31)7-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h8H,2-7H2,1H3


name: Cefdinir
cas: 91832-40-5
chebiid: CHEBI:3485
chemspiderid: 5291705
dtxsid: DTXSID8046084
formula: C14H13N5O5S2
inchikey: RTXOFQZKPXMALH-GHXIOONMSA-N
norman_susdat_id: NS00011559
pubchem_cid: 6915944
smiles: C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=NO)/C3=CSC(=N3)N)SC1)C(=O)O
inchi:
InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1


cas: 918407-35-9
formula: C28H27N5O5
inchikey: TUWMKPVJGGWGNL-UHFFFAOYSA-N
norman_susdat_id: NS00073629
pubchem_cid: 86566678
smiles: C=Cc1cc(C(=O)Nc2ccc(C(=N)N)cc2)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)O)cc1OC
name:
3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid

inchi:
InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37)


name: 5-Bromo-3-(Pyrrolidin-1-Ylsulfonyl)-1h-Indole-2-Carboxamide
cas: 918494-66-3
dtxsid: DTXSID60475210
formula: C13H14BrN3O3S
inchikey: FEPUPYVRZUWCQB-UHFFFAOYSA-N
norman_susdat_id: NS00071484
pubchem_cid: 11984575
smiles: NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1
inchi:
InChI=1S/C13H14BrN3O3S/c14-8-3-4-10-9(7-8)12(11(16-10)13(15)18)21(19,20)17-5-1-2-6-17/h3-4,7,16H,1-2,5-6H2,(H2,15,18)


name: N-[3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
cas: 918504-27-5
chemspiderid: 10157056
dtxsid: DTXSID30475207
formula: C17H14Br1F2N3O3S1
inchikey: TVFGCDQPUZGXMQ-UHFFFAOYSA-N
norman_susdat_id: NS00005852
pubchem_cid: 11984556
smiles: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1F
inchi:
InChI=1S/C17H14BrF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)


name: PLX-4720
cas: 918505-84-7
chebiid: CHEBI:90295
dtxsid: DTXSID10238711
formula: C17H14ClF2N3O3S
inchikey: YZDJQTHVDDOVHR-UHFFFAOYSA-N
norman_susdat_id: NS00072361
pubchem_cid: 24180719
smiles: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
inchi:
InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)


name: TH 302
cas: 918633-87-1
dtxsid: DTXSID60238721
formula: C9H16Br2N5O4P
inchikey: UGJWRPJDTDGERK-UHFFFAOYSA-N
norman_susdat_id: NS00071873
pubchem_cid: 11984561
smiles: Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+](=O)[O-]
inchi:
InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)


name: Trilithium citrate
cas: 919-16-4
chebiid: CHEBI:64735
formula: C6H8O7.3Li
inchikey: WJSIUCDMWSDDCE-UHFFFAOYSA-K
norman_susdat_id: NS00079817
smiles: [Li+].[Li+].[Li+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.3Li/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3


name: (acetoxy)trioctylstannane
cas: 919-28-8
dtxsid: DTXSID10238756
formula: C26H54O2Sn
inchikey: HJNBKKMVQZKRNU-UHFFFAOYSA-M
norman_susdat_id: NS00042018
pubchem_cid: NA
smiles: O=C(O[Sn](CCCCCCCC)(CCCCCCCC)CCCCCCCC)C
inchi:
InChI=1/3C8H17.C2H4O2.Sn/c3*1-3-5-7-8-6-4-2;1-2(3)4;/h3*1,3-8H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1/rC26H54O2Sn/c1-5-8-11-14-17-20-23-29(28-26(4)27,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h5-25H2,1-4H3


name: 3,3',3''-Nitrilotris(propionohydrazide)
cas: 91933-31-2
chemspiderid: 2308075
dtxsid: DTXSID30238793
formula: C9H21N7O3
inchikey: PMPWHLYNGLTUHI-UHFFFAOYSA-N
norman_susdat_id: NS00039414
pubchem_cid: 3045313
smiles: NNC(=O)CCN(CCC(=O)NN)CCC(=O)NN
inchi:
InChI=1S/C9H21N7O3/c10-13-7(17)1-4-16(5-2-8(18)14-11)6-3-9(19)15-12/h1-6,10-12H2,(H,13,17)(H,14,18)(H,15,19)


name: N,N,N',N'-Tetrakis(3-hydrazino-3-oxopropyl)ethylenediamine
cas: 91933-32-3
chemspiderid: 2308074
dtxsid: DTXSID90238794
formula: C14H32N10O4
inchikey: PRSYGUNNFMZZES-UHFFFAOYSA-N
norman_susdat_id: NS00039415
pubchem_cid: 3045312
smiles: NNC(=O)CCN(CCN(CCC(=O)NN)CCC(=O)NN)CCC(=O)NN
inchi:
InChI=1S/C14H32N10O4/c15-19-11(25)1-5-23(6-2-12(26)20-16)9-10-24(7-3-13(27)21-17)8-4-14(28)22-18/h1-10,15-18H2,(H,19,25)(H,20,26)(H,21,27)(H,22,28)


name: 3-(Pentadecafluoroheptyl)-5-(pentafluorophenyl)-1,2,4-oxadiazole
cas: 919489-99-9
dtxsid: DTXSID60896264
formula: C15F20N2O
inchikey: YROHNOYMVCOFGS-UHFFFAOYSA-N
norman_susdat_id: NS00111111
smiles: Fc1c(F)c(F)c(-c2nc(no2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1F
inchi:
InChI=1S/C15F20N2O/c16-2-1(3(17)5(19)6(20)4(2)18)7-36-8(37-38-7)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)35


name: (2s)-2-(1h-indol-3-yl)pentanoic acid
cas: 91957-23-2
formula: C13H15NO2
inchikey: QRCBLBWFQJDFJQ-JTQLQIEISA-N
norman_susdat_id: NS00072370
pubchem_cid: 24768551
smiles: CCC[C@H](C(=O)O)c1c[nH]c2ccccc12
inchi:
InChI=1S/C13H15NO2/c1-2-5-10(13(15)16)11-8-14-12-7-4-3-6-9(11)12/h3-4,6-8,10,14H,2,5H2,1H3,(H,15,16)/t10-/m0/s1


name: 2-({[2-(2,5-Dimethoxyphenyl)ethyl]amino}methyl)phenol
cas: 919797-17-4
dtxsid: DTXSID10843506
formula: C17H21NO3
inchikey: GWSDQXKNRDQTTQ-UHFFFAOYSA-N
norman_susdat_id: NS00067999
smiles: COC1=CC(CCNCC2=CC=CC=C2O)=C(OC)C=C1
inchi:
InChI=1S/C17H21NO3/c1-20-15-7-8-17(21-2)13(11-15)9-10-18-12-14-5-3-4-6-16(14)19/h3-8,11,18-19H,9-10,12H2,1-2H3


name: NBOMe-2C-I
cas: 919797-19-6
chemspiderid: 8427392
dtxsid: DTXSID20238808
formula: C18H22I1N1O3
inchikey: ZFUOLNAKPBFDIJ-UHFFFAOYSA-N
norman_susdat_id: NS00017650
pubchem_cid: 10251906
smiles: COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)I)OC
inchi:
InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3


name: 25I-NBOH
cas: 919797-20-9
chemspiderid: 8177342
dtxsid: DTXSID80433993
formula: C17H20I1N1O3
inchikey: FEUZHYRXGQTBRO-UHFFFAOYSA-N
norman_susdat_id: NS00017583
pubchem_cid: 10001761
smiles: COC1=CC(=C(C=C1CCNCC2=CC=CC=C2O)OC)I
inchi:
InChI=1S/C17H20INO3/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-19-11-13-5-3-4-6-15(13)20/h3-6,9-10,19-20H,7-8,11H2,1-2H3


name: N-[(2-Fluorophenyl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethan-1-amine
cas: 919797-21-0
chemspiderid: 24751866
dtxsid: DTXSID00726753
formula: C17H19F1I1N1O2
inchikey: LPBKNBHMWRBPHT-UHFFFAOYSA-N
norman_susdat_id: NS00017631
pubchem_cid: 57469209
smiles: COC1=CC(=C(C=C1CCNCC2=CC=CC=C2F)OC)I
inchi:
InChI=1S/C17H19FINO2/c1-21-16-10-15(19)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-14(13)18/h3-6,9-10,20H,7-8,11H2,1-2H3


name: N-[(2H-1,3-Benzodioxol-4-yl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethan-1-amine
cas: 919797-25-4
chemspiderid: 26234932
dtxsid: DTXSID70726967
formula: C18H20I1N1O4
inchikey: NJNMIPDEUMTYNV-UHFFFAOYSA-N
norman_susdat_id: NS00017684
pubchem_cid: 57507899
smiles: COC1=CC(=C(C=C1CCNCC2=C3C(=CC=C2)OCO3)OC)I
inchi:
InChI=1S/C18H20INO4/c1-21-16-9-14(19)17(22-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)24-11-23-15/h3-5,8-9,20H,6-7,10-11H2,1-2H3


name: [1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayltetrakis(methylene)]tetrakis(phosphonic acid)
cas: 91987-74-5
dtxsid: DTXSID50919416
formula: C12H32N4O12P4
inchikey: RCXMQNIDOFXYDO-UHFFFAOYSA-N
norman_susdat_id: NS00070010
pubchem_cid: 124761
smiles: O=P(O)(O)CN1CCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CC1
inchi:
InChI=1S/C12H32N4O12P4/c17-29(18,19)9-13-1-2-14(10-30(20,21)22)5-6-16(12-32(26,27)28)8-7-15(4-3-13)11-31(23,24)25/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)


cas: 91995-81-2
dtxsid: DTXSID40892002
norman_susdat_id: NS00076082
name:
Fatty acids, C10-20 and C16-18-unsatd., reaction products with triethanolamine, di-Me sulfate-quaternized


name: 4,5-dihydro-2-[[3-(triethoxysilyl)propyl]thio]-1H-imidazole monohydrobromide
cas: 91998-52-6
dtxsid: DTXSID50238811
formula: C12H26N2O3SSi
inchikey: RHFFWHVKPFBMBR-UHFFFAOYSA-N
norman_susdat_id: NS00063475
pubchem_cid: 3021675
smiles: Br.N1=C(SCCC[Si](OCC)(OCC)OCC)NCC1
inchi:
InChI=1/C12H26N2O3SSi.BrH/c1-4-15-19(16-5-2,17-6-3)11-7-10-18-12-13-8-9-14-12;/h4-11H2,1-3H3,(H,13,14);1H


name: Benzenesulfonic acid, 2-amino-5-(6-methyl-2-benzothiazolyl)-
cas: 92-01-3
chemspiderid: 60055
dtxsid: DTXSID0059037
formula: C14H12N2O3S2
inchikey: SGFXNJIQRFEOIA-UHFFFAOYSA-N
norman_susdat_id: NS00039422
pubchem_cid: 66689
smiles: Cc1cc2c(cc1)nc(s2)c1ccc(N)c(c1)S(=O)(=O)O
inchi:
InChI=1S/C14H12N2O3S2/c1-8-2-5-11-12(6-8)20-14(16-11)9-3-4-10(15)13(7-9)21(17,18)19/h2-7H,15H2,1H3,(H,17,18,19)


name: Pilocarpine
cas: 92-13-7
chebiid: CHEBI:8207
chemspiderid: 5699
dtxsid: DTXSID1021162
formula: C11H16N2O2
inchikey: QCHFTSOMWOSFHM-WPRPVWTQSA-N
norman_susdat_id: NS00007560
pubchem_cid: 5910
smiles: CC[C@H]1[C@@H](Cc2cncn2C)COC1=O
inchi:
InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1


name: Benzenepropanamide, N-(2-methoxyphenyl)-.beta.-oxo-
cas: 92-16-0
chemspiderid: 6812
dtxsid: DTXSID9059042
formula: C16H15N1O3
inchikey: FTYSHTGKLFLKRX-UHFFFAOYSA-N
norman_susdat_id: NS00039435
pubchem_cid: 7079
smiles: COc1c(NC(=O)CC(=O)c2ccccc2)cccc1
inchi:
InChI=1S/C16H15NO3/c1-20-15-10-6-5-9-13(15)17-16(19)11-14(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)


name: Benzenepropanamide, 3-amino-N-(2-methoxyphenyl)-.beta.-oxo-
cas: 92-17-1
chemspiderid: 60062
dtxsid: DTXSID4059043
formula: C16H16N2O3
inchikey: OQYSWVBFARFVTJ-UHFFFAOYSA-N
norman_susdat_id: NS00039438
pubchem_cid: 66696
smiles: COc1c(NC(=O)CC(=O)c2cc(N)ccc2)cccc1
inchi:
InChI=1S/C16H16N2O3/c1-21-15-8-3-2-7-13(15)18-16(20)10-14(19)11-5-4-6-12(17)9-11/h2-9H,10,17H2,1H3,(H,18,20)


name: 2',5'-dimethoxy-4'-nitrobenzanilide
cas: 92-20-6
dtxsid: DTXSID20919403
formula: C15H15N2O5
inchikey: JCKZOGUHQXHGTO-UHFFFAOYSA-N
norman_susdat_id: NS00041236
pubchem_cid: 66698
smiles: O=C(NC1=CC(OC)=C(C=C1OC)[N+](=O)[O-])C=2C=CC=CC2
inchi:
InChI=1/C15H14N2O5/c1-21-13-9-12(17(19)20)14(22-2)8-11(13)16-15(18)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,18)


name: 5,5'-dichloro-2,2',4,4'-tetramethoxy-a,a'-terephthaloyldiacetanilide
cas: 92-21-7
dtxsid: DTXSID20889334
formula: C28H26Cl2N2O8
inchikey: RGJDBFYBXKHCEV-UHFFFAOYSA-N
norman_susdat_id: NS00041237
pubchem_cid: 66699
smiles: O=C(NC1=CC(Cl)=C(OC)C=C1OC)CC(=O)C2=CC=C(C=C2)C(=O)CC(=O)NC3=CC(Cl)=C(OC)C=C3OC
inchi:
InChI=1/C28H26Cl2N2O8/c1-37-23-13-25(39-3)19(9-17(23)29)31-27(35)11-21(33)15-5-7-16(8-6-15)22(34)12-28(36)32-20-10-18(30)24(38-2)14-26(20)40-4/h5-10,13-14H,11-12H2,1-4H3,(H,31,35)(H,32,36)


name: 2',5'-Diethoxybenzanilide
cas: 92-22-8
chemspiderid: 2406
dtxsid: DTXSID90238815
formula: C17H19N1O3
inchikey: OEZDYMAFWLGKFC-UHFFFAOYSA-N
norman_susdat_id: NS00039441
pubchem_cid: 66700
smiles: CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1
inchi:
InChI=1S/C17H19NO3/c1-3-20-14-10-11-16(21-4-2)15(12-14)18-17(19)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,18,19)


name: Leucinocaine
cas: 92-23-9
chebiid: CHEBI:135220
chemspiderid: 61904
formula: C17H28N2O2
inchikey: MLHBDHJHNDJBLI-UHFFFAOYSA-N
norman_susdat_id: NS00114046
pubchem_cid: 68648
smiles: CCN(CC)C(CC(C)C)COC(=O)C1=CC=C(C=C1)N
inchi:
InChI=1S/C17H28N2O2/c1-5-19(6-2)16(11-13(3)4)12-21-17(20)14-7-9-15(18)10-8-14/h7-10,13,16H,5-6,11-12,18H2,1-4H3


name: 2,7-Naphthalenedisulfonic acid, 3-amino-
cas: 92-28-4
chemspiderid: 60069
dtxsid: DTXSID9059048
formula: C10H9N1O6S2
inchikey: UCTREIIEJSFTDI-UHFFFAOYSA-N
norman_susdat_id: NS00022874
pubchem_cid: 66703
smiles: Nc1c(cc2cc(ccc2c1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H9NO6S2/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)


name: Methanediamine, 1-phenyl-N,N'-bis(phenylmethylene)-
cas: 92-29-5
chemspiderid: 60070
dtxsid: DTXSID4059049
formula: C21H18N2
inchikey: VUYRFIIFTJICNA-UHFFFAOYSA-N
norman_susdat_id: NS00039452
pubchem_cid: 66704
smiles: C(=NC(N=Cc1ccccc1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C21H18N2/c1-4-10-18(11-5-1)16-22-21(20-14-8-3-9-15-20)23-17-19-12-6-2-7-13-19/h1-17,21H/b22-16-,23-17+/t21-/m1/s1


name: 3,6-bis(dimethylamino)xanthylium chloride
cas: 92-32-0
chebiid: CHEBI:8682
dtxsid: DTXSID8059051
formula: C17H19N2O
inchikey: INCIMLINXXICKS-UHFFFAOYSA-M
norman_susdat_id: NS00041081
pubchem_cid: 7085
smiles: [Cl-].[O+]=1C=2C=C(C=CC2C=C3C=CC(=CC13)N(C)C)N(C)C
inchi:
InChI=1/C17H19N2O.ClH/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14;/h5-11H,1-4H3;1H/q+1;/p-1


name: Benzenesulfonic acid, 4-[ethyl(phenylmethyl)amino]-
cas: 92-56-8
chemspiderid: 60075
dtxsid: DTXSID3059058
formula: C15H17N1O3S1
inchikey: OZBLZWHUFCFATD-UHFFFAOYSA-N
norman_susdat_id: NS00039471
pubchem_cid: 66709
smiles: CCN(Cc1ccccc1)c1ccc(cc1)S(=O)(=O)O
inchi:
InChI=1S/C15H17NO3S/c1-2-16(12-13-6-4-3-5-7-13)14-8-10-15(11-9-14)20(17,18)19/h3-11H,2,12H2,1H3,(H,17,18,19)


name: 4-[benzyl(ethyl)amino]benzenediazonium chloride
cas: 92-57-9
formula: C15H16N3.Cl
inchikey: QIVQPCFUDIRQRH-UHFFFAOYSA-M
norman_susdat_id: NS00079220
smiles: [Cl-].CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N
inchi:
InChI=1/C15H16N3.ClH/c1-2-18(12-13-6-4-3-5-7-13)15-10-8-14(17-16)9-11-15;/h3-11H,2,12H2,1H3;1H/q+1;/p-1


name: Benzenesulfonic acid, 4-[(ethylphenylamino)methyl]-
cas: 92-60-4
chemspiderid: 60078
dtxsid: DTXSID8059059
formula: C15H17N1O3S1
inchikey: HSBRAZWXTOKJQF-UHFFFAOYSA-N
norman_susdat_id: NS00039474
pubchem_cid: 66712
smiles: CCN(Cc1ccc(cc1)S(=O)(=O)O)c1ccccc1
inchi:
InChI=1S/C15H17NO3S/c1-2-16(14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)20(17,18)19/h3-11H,2,12H2,1H3,(H,17,18,19)


name: 2-Naphthalenecarboxamide, N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-
cas: 92-72-8
chemspiderid: 60080
dtxsid: DTXSID2059061
formula: C19H16Cl1N1O4
inchikey: XDWATWCCUTYUDE-UHFFFAOYSA-N
norman_susdat_id: NS00006707
pubchem_cid: 66714
smiles: COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2O)cc1Cl
inchi:
InChI=1S/C19H16ClNO4/c1-24-17-10-18(25-2)15(9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22/h3-10,22H,1-2H3,(H,21,23)


name: 2-Naphthalenecarboxamide, N-(2,5-dimethoxyphenyl)-3-hydroxy-
cas: 92-73-9
chemspiderid: 60081
dtxsid: DTXSID7059062
formula: C19H17N1O4
inchikey: LAKNSQZHAUYJJM-UHFFFAOYSA-N
norman_susdat_id: NS00021388
pubchem_cid: 66715
smiles: COc1ccc(OC)c(NC(=O)c2cc3ccccc3cc2O)c1
inchi:
InChI=1S/C19H17NO4/c1-23-14-7-8-18(24-2)16(11-14)20-19(22)15-9-12-5-3-4-6-13(12)10-17(15)21/h3-11,21H,1-2H3,(H,20,22)


name: 3-Hydroxy-2-naphtho-o-phenetidide
cas: 92-74-0
chemspiderid: 60082
dtxsid: DTXSID2059063
formula: C19H17N1O3
inchikey: NXIGDUAONGBUKR-UHFFFAOYSA-N
norman_susdat_id: NS00009062
pubchem_cid: 66716
smiles: CCOc1ccccc1NC(=O)c1cc2ccccc2cc1O
inchi:
InChI=1S/C19H17NO3/c1-2-23-18-10-6-5-9-16(18)20-19(22)15-11-13-7-3-4-8-14(13)12-17(15)21/h3-12,21H,2H2,1H3,(H,20,22)


name: 2-Naphthalenecarboxamide, N-(2,4-dimethylphenyl)-3-hydroxy-
cas: 92-75-1
chemspiderid: 60083
dtxsid: DTXSID7059064
formula: C19H17N1O2
inchikey: VTPSNRIENVXKCI-UHFFFAOYSA-N
norman_susdat_id: NS00021389
pubchem_cid: 66717
smiles: Cc1ccc(NC(=O)c2cc3c(cccc3)cc2O)c(C)c1
inchi:
InChI=1S/C19H17NO2/c1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)


name: 2-Naphthalenecarboxamide, N-(4-chloro-2-methylphenyl)-3-hydroxy-
cas: 92-76-2
chemspiderid: 60084
dtxsid: DTXSID2059065
formula: C18H14Cl1N1O2
inchikey: PSRNXESQSJEQMN-UHFFFAOYSA-N
norman_susdat_id: NS00021390
pubchem_cid: 66718
smiles: Cc1c(NC(=O)c2c(O)cc3ccccc3c2)ccc(Cl)c1
inchi:
InChI=1S/C18H14ClNO2/c1-11-8-14(19)6-7-16(11)20-18(22)15-9-12-4-2-3-5-13(12)10-17(15)21/h2-10,21H,1H3,(H,20,22)


name: 2-Naphthalenecarboxamide, N-(4-chlorophenyl)-3-hydroxy-
cas: 92-78-4
chemspiderid: 60086
dtxsid: DTXSID7059066
formula: C17H12Cl1N1O2
inchikey: OHAXNCGNVGGWSO-UHFFFAOYSA-N
norman_susdat_id: NS00010053
pubchem_cid: 66720
smiles: Oc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1
inchi:
InChI=1S/C17H12ClNO2/c18-13-5-7-14(8-6-13)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)20/h1-10,20H,(H,19,21)


name: 2-Naphthalenecarboxamide, 3-hydroxy-N-(4-methoxyphenyl)-
cas: 92-79-5
chemspiderid: 60087
dtxsid: DTXSID2059067
formula: C18H15N1O3
inchikey: UIXFPIHXQQZAGX-UHFFFAOYSA-N
norman_susdat_id: NS00009994
pubchem_cid: 66721
smiles: COc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
inchi:
InChI=1S/C18H15NO3/c1-22-15-8-6-14(7-9-15)19-18(21)16-10-12-4-2-3-5-13(12)11-17(16)20/h2-11,20H,1H3,(H,19,21)


name: 3-Amino-6-Hydroxy-Tyrosine
cas: 920013-11-2
dtxsid: DTXSID00590830
formula: C9H12N2O4
inchikey: OIXIYIGKZVEKPI-LURJTMIESA-N
norman_susdat_id: NS00070295
pubchem_cid: 17754207
smiles: Nc1cc(C[C@H](N)C(=O)O)c(O)cc1O
inchi:
InChI=1S/C9H12N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,12-13H,2,10-11H2,(H,14,15)/t6-/m0/s1


name: 3-Chloro-5-{2-chloro-5-[(2H-indazol-3-yl)methoxy]phenoxy}benzonitrile
cas: 920036-04-0
dtxsid: DTXSID30581453
formula: C21H13Cl2N3O2
inchikey: WHCLIFOVZDANCU-UHFFFAOYSA-N
norman_susdat_id: NS00071868
pubchem_cid: 16045336
smiles: N#Cc1cc(Cl)cc(Oc2cc(OCc3n[nH]c4ccccc34)ccc2Cl)c1
inchi:
InChI=1S/C21H13Cl2N3O2/c22-14-7-13(11-24)8-16(9-14)28-21-10-15(5-6-18(21)23)27-12-20-17-3-1-2-4-19(17)25-26-20/h1-10H,12H2,(H,25,26)


name: Phosphorous acid, phenyl tridecyl ester
cas: 92044-80-9
dtxsid: DTXSID00919385
formula: C19H33O3P
inchikey: HPUYRHNNPAHJBD-UHFFFAOYSA-N
norman_susdat_id: NS00063053
pubchem_cid: 67466862
smiles: OP(OC=1C=CC=CC1)OCCCCCCCCCCCCC
inchi:
InChI=1/C19H33O3P/c1-2-3-4-5-6-7-8-9-10-11-15-18-21-23(20)22-19-16-13-12-14-17-19/h12-14,16-17,20H,2-11,15,18H2,1H3


name: Nicandrin B (Withaferoxolide)
cas: 92070-79-6
chemspiderid: 44566979
formula: C28H38O6
inchikey: DGZBYFRXLDYRMK-XLVSLIJYSA-N
norman_susdat_id: NS00093766
pubchem_cid: 23339810
smiles:
CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)O)C)C


name: ((Perfluorooctyl)-2-hydroxypropyl)trimethylammonium iodide
cas: 92071-84-6
chemspiderid: 2288506
dtxsid: DTXSID70881323
formula: C14H15F17N1O1
inchikey: JJQUHEQVLGAENB-UHFFFAOYSA-M
norman_susdat_id: NS00019309
pubchem_cid: 3021911
smiles: [I-].C[N+](C)(C)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H15F17NO/c1-32(2,3)5-6(33)4-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h6,33H,4-5H2,1-3H3/q+1


name: cilazaprilum, cilazapril anhydrous, inhibace
cas: 92077-78-6
chebiid: CHEBI:3698
chemspiderid: 50831
formula: C22H31N3O5
inchikey: HHHKFGXWKKUNCY-FHWLQOOXSA-N
norman_susdat_id: NS00009491
pubchem_cid: 40466888
smiles: CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O
inchi:
InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1


name: omega-Conotoxin G VIA (reduced)
cas: 92078-76-7
dtxsid: DTXSID60238847
formula: C120H188N38O43S6
inchikey: XJKFZICVAPPHCK-NZPQQUJLSA-N
norman_susdat_id: NS00075478
inchi:
InChI=1S/C120H188N38O43S6/c1-53(165)91(114(197)138-66(10-4-6-26-122)95(178)136-68(12-8-28-132-120(129)130)98(181)149-81(49-204)107(190)139-69(93(126)176)29-55-13-19-58(167)20-14-55)154-101(184)71(31-57-17-23-60(169)24-18-57)142-112(195)86-33-62(171)39-157(86)116(199)73(36-89(125)174)143-108(191)82(50-205)151-104(187)75(42-160)144-96(179)67(11-7-27-131-119(127)128)137-106(189)80(48-203)153-110(193)84(52-207)150-100(183)72(35-88(124)173)141-99(182)70(30-56-15-21-59(168)22-16-56)140-103(186)77(44-162)146-115(198)92(54(2)166)155-113(196)87-34-63(172)40-158(87)118(201)79(46-164)148-109(192)83(51-206)152-105(188)76(43-161)145-102(185)74(41-159)134-90(175)37-133-111(194)85-32-61(170)38-156(85)117(200)78(45-163)147-97(180)65(9-3-5-25-121)135-94(177)64(123)47-202/h13-24,53-54,61-87,91-92,159-172,202-207H,3-12,25-52,121-123H2,1-2H3,(H2,124,173)(H2,125,174)(H2,126,176)(H,133,194)(H,134,175)(H,135,177)(H,136,178)(H,137,189)(H,138,197)(H,139,190)(H,140,186)(H,141,182)(H,142,195)(H,143,191)(H,144,179)(H,145,185)(H,146,198)(H,147,180)(H,148,192)(H,149,181)(H,150,183)(H,151,187)(H,152,188)(H,153,193)(H,154,184)(H,155,196)(H4,127,128,131)(H4,129,130,132)/t53-,54-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,91+,92+/m1/s1

smiles:
C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O


cas: 92096-37-2
chemspiderid: 9225287
formula: C29H26N2O7S2
inchikey: NWRAKIYILKAIFB-UFHPHHKVSA-N
norman_susdat_id: NS00003037
pubchem_cid: 11050121
smiles: CS(=O)(=O)OC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1ccccc1)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(methylsulfonyl)oxy]-8-oxo-7-[(phenylacetyl)amino]-, diphenylmethyl ester, (6R,7R)-

inchi:
InChI=1S/C29H26N2O7S2/c1-40(35,36)38-22-18-39-28-24(30-23(32)17-19-11-5-2-6-12-19)27(33)31(28)25(22)29(34)37-26(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,24,26,28H,17-18H2,1H3,(H,30,32)/t24-,28-/m1/s1


name: Ethyl [4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulphonyl]phenyl]-carbamate
cas: 92110-38-8
dtxsid: DTXSID00919365
formula: C13H16N4O4S2
inchikey: VFJBHCMPCGLIHV-UHFFFAOYSA-N
norman_susdat_id: NS00064025
pubchem_cid: 16205721
smiles: O=C(OCC)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)CC
inchi:
InChI=1/C13H16N4O4S2/c1-3-11-15-16-12(22-11)17-23(19,20)10-7-5-9(6-8-10)14-13(18)21-4-2/h5-8H,3-4H2,1-2H3,(H,14,18)(H,16,17)


cas: 92129-34-5
dtxsid: DTXSID30881324
norman_susdat_id: NS00109924
name:
Quaternary ammonium compd., (hydroxyethyl)dimethyl(.gamma.-.omega.-perfluoro-C8-14-.beta.-alkenyl), Me sulfates


name: O,O-dibutyl hydrogen thiophosphate, compound with (Z)-octadec-9-en-1-amine (1:1)
cas: 92130-55-7
formula: C18H37N.C8H19O3PS
inchikey: NMEXMBFSABKLIJ-KVVVOXFISA-N
norman_susdat_id: NS00091229
smiles: CCCCCCCC\C=C/CCCCCCCCN.CCCCOP(=O)(S)OCCCC
inchi:
InChI=1/C18H37N.C8H19O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3-5-7-10-12(9,13)11-8-6-4-2/h9-10H,2-8,11-19H2,1H3;3-8H2,1-2H3,(H,9,13)


name: Kelatorphan
cas: 92175-57-0
dtxsid: DTXSID90238911
formula: C14H18N2O5
inchikey: OJCFZTVYDSKXNM-GXSJLCMTSA-N
norman_susdat_id: NS00070156
pubchem_cid: 123982
smiles: C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)O
inchi:
InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1


name: Phosphocreatine, sodium salt
cas: 922-32-7
dtxsid: DTXSID40919309
formula: C4H10N3O5P
inchikey: LPGNMLMYXQOPJL-UHFFFAOYSA-M
norman_susdat_id: NS00041684
pubchem_cid: 18506526
smiles: [Na+].O=C([O-])C(N(C(=N)N)C)P(=O)(O)O
inchi:
InChI=1/C4H10N3O5P.Na/c1-7(4(5)6)2(3(8)9)13(10,11)12;/h2H,1H3,(H3,5,6)(H,8,9)(H2,10,11,12);/q;+1/p-1


name: Butanedioic acid, 2-sulfo-, 1,4-dipentyl ester, sodium salt (1:1)
cas: 922-80-5
chemspiderid: 63393
dtxsid: DTXSID10889363
formula: C14H26O7S1
inchikey: CBCQTCPKFYFJEU-UHFFFAOYSA-N
norman_susdat_id: NS00013562
pubchem_cid: 70207
smiles: [Na+].CCCCCOC(=O)CC(C(=O)OCCCCC)[S]([O-])(=O)=O
inchi:
InChI=1S/C14H26O7S.Na/c1-3-5-7-9-20-13(15)11-12(22(17,18)19)14(16)21-10-8-6-4-2;/h12H,3-11H2,1-2H3,(H,17,18,19);/q;+1/p-1


name: Benzyl(hexahydro-2-oxo-1H-azepin-3-yl)dimethylammonium chloride
cas: 92207-22-2
dtxsid: DTXSID20919302
formula: C15H23N2O
inchikey: FRGHJMDARINEHW-UHFFFAOYSA-N
norman_susdat_id: NS00062989
pubchem_cid: 11971093
smiles: [Cl-].O=C1NCCCCC1[N+](C)(C)CC=2C=CC=CC2
inchi:
InChI=1/C15H22N2O.ClH/c1-17(2,12-13-8-4-3-5-9-13)14-10-6-7-11-16-15(14)18;/h3-5,8-9,14H,6-7,10-12H2,1-2H3;1H


cas: 922147-45-3
dtxsid: DTXSID40897572
norman_susdat_id: NS00110502
name:
D-chiro-Inositol, 3-O-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranosyl]-, mixt. with 2-chloro-N-[3-[[[2,6-dimethyl-4-[perfluoro-propyl]phenyl]amino]carbonyl]-2-fluorophenyl]-N-methyl-3-pyridinecarboxamide


name: Bis-ethoxydiglycol cyclohexane 1,4-dicarboxylate
cas: 922165-31-9
chemspiderid: 23353641
dtxsid: DTXSID20238929
formula: C20H36O8
inchikey: JNFDQAYPZCYWLD-UHFFFAOYSA-N
norman_susdat_id: NS00005844
pubchem_cid: 25116113
smiles: CCOCCOCCOC(=O)C1CCC(CC1)C(=O)OCCOCCOCC
inchi:
InChI=1S/C20H36O8/c1-3-23-9-11-25-13-15-27-19(21)17-5-7-18(8-6-17)20(22)28-16-14-26-12-10-24-4-2/h17-18H,3-16H2,1-2H3


name: Potassium hydrogen 2-octadecenylsuccinate
cas: 92218-39-8
formula: C22H40O4.K
inchikey: SFFGYAYAAJKTAO-UHFFFAOYSA-M
norman_susdat_id: NS00091179
smiles: [H+].[K+].[O-]C(=O)CC(C=CCCCCCCCCCCCCCCCC)C([O-])=O
inchi:
InChI=1/C22H40O4.K.H2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24;;/h17-18,20H,2-16,19H2,1H3,(H,23,24)(H,25,26);;1H/q;2*+1/p-2


name: 5-(4-tert-Butylphenyl)-N-(2,2,3,3,4,4,4-heptafluorobutyl)-1,2-oxazole-3-carboxamide
cas: 922421-40-7
dtxsid: DTXSID70896275
formula: C18H17F7N2O2
inchikey: PXIPJQUDARNNQU-UHFFFAOYSA-N
norman_susdat_id: NS00111472
smiles: CC(C)(C)c1ccc(cc1)-c1cc(no1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C18H17F7N2O2/c1-15(2,3)11-6-4-10(5-7-11)13-8-12(27-29-13)14(28)26-9-16(19,20)17(21,22)18(23,24)25/h4-8H,9H2,1-3H3,(H,26,28)


name: 4-Pentyl-4'-propyl-1,1'-bi(cyclohexane)
cas: 92263-41-7
chemspiderid: 10725111
dtxsid: DTXSID50620974
formula: C20H38
inchikey: KDVKBFMGDZIYON-UHFFFAOYSA-N
norman_susdat_id: NS00039447
pubchem_cid: 21972079
smiles: CCCCCC1CCC(CC1)C1CCC(CCC)CC1
inchi:
InChI=1S/C20H38/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h17-20H,3-16H2,1-2H3/t17-,18-,19+,20+


cas: 92265-81-1
dtxsid: DTXSID30882674
norman_susdat_id: NS00109951
name:
Ethanaminium, N,N,N-trimethyl-2-[(2-methyl-1-oxo-2-propenyl)oxy]-, chloride, polymer with 2-ethoxyethyl 2-propenoate, 2-[[(heptadecafluorooctyl)sulfonyl]methylamino]ethyl-2-propenoate and oxiranylmethyl 2-methyl-2-propenoate


name: (R)-1-[[[(2-aminoethoxy)hydroxyphosphinoyl]oxy]methyl]ethane-1,2-diyl dihexadecanoate
cas: 923-61-5
chebiid: CHEBI:73127
dtxsid: DTXSID90919258
formula: C37H74NO8P
inchikey: SLKDGVPOSSLUAI-PGUFJCEWSA-N
norman_susdat_id: NS00041721
pubchem_cid: NA
smiles: O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC
inchi:
InChI=1/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)


name: BAETA
cas: 923-73-9
chemspiderid: 12952
dtxsid: DTXSID70238959
formula: C12H20N2O9
inchikey: SLVOVFVZZFUEAS-UHFFFAOYSA-N
norman_susdat_id: NS00022875
pubchem_cid: 13540
smiles: OC(=O)CN(CCOCCN(CC(=O)O)CC(=O)O)CC(=O)O
inchi:
InChI=1S/C12H20N2O9/c15-9(16)5-13(6-10(17)18)1-3-23-4-2-14(7-11(19)20)8-12(21)22/h1-8H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)


name: Refametinib
cas: 923032-37-5
dtxsid: DTXSID40238961
formula: C19H20F3IN2O5S
inchikey: RDSACQWTXKSHJT-NSHDSACASA-N
norman_susdat_id: NS00072392
pubchem_cid: 44182295
smiles: COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1
inchi:
InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1


name: N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-2-chloro-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
cas: 923036-25-3
chemspiderid: 57440415
formula: C20H24Cl1N5
inchikey: MXIDKFWWKNFJKE-UHFFFAOYSA-N
norman_susdat_id: NS00002078
pubchem_cid: 73214703
smiles: CC1CCN(Cc2ccccc2)CC1N(C)c1nc(Cl)nc2[nH]ccc12
inchi:
InChI=1S/C20H24ClN5/c1-14-9-11-26(12-15-6-4-3-5-7-15)13-17(14)25(2)19-16-8-10-22-18(16)23-20(21)24-19/h3-8,10,14,17H,9,11-13H2,1-2H3,(H,22,23,24)


name: Iodixanol
cas: 92339-11-2
chebiid: CHEBI:31705
chemspiderid: 3593
dtxsid: DTXSID2045523
formula: C35H44I6N6O15
inchikey: NBQNWMBBSKPBAY-UHFFFAOYSA-N
norman_susdat_id: NS00001497
pubchem_cid: 3724
inchi:
InChI=1S/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)

smiles:
CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I


name: 1-[2-[Ethyl[(perfluorooctyl)sulfonyl]amino]ethyl] butanedioate potassium
cas: 92340-26-6
dtxsid: DTXSID20897479
formula: C16H13F17KNO6S
inchikey: ONPDQMOENAOQAM-UHFFFAOYSA-M
norman_susdat_id: NS00109815
smiles: [K+].CCN(CCOC(=O)CCC([O-])=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H14F17NO6S.K/c1-2-34(5-6-40-8(37)4-3-7(35)36)41(38,39)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31;/h2-6H2,1H3,(H,35,36);/q;+1/p-1


name: 5-Hydroxyomeprazole
cas: 92340-57-3
chebiid: CHEBI:63840
chemspiderid: 106763
formula: C17H19N3O4S1
inchikey: CMZHQFXXAAIBKE-UHFFFAOYSA-N
norman_susdat_id: NS00015362
pubchem_cid: 119560
smiles: CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)CO)OC
inchi:
InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)


name: Navitoclax
cas: 923564-51-6
chebiid: CHEBI:131174
dtxsid: DTXSID2042640
formula: C47H55ClF3N5O6S3
inchikey: JLYAXFNOILIKPP-KXQOOQHDSA-N
norman_susdat_id: NS00073445
pubchem_cid: 24978538
inchi:
InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1

smiles:
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1


name: Camicinal
cas: 923565-21-3
formula: C25H33FN4O
inchikey: RZKDEGZIFSJVNA-IBGZPJMESA-N
norman_susdat_id: NS00072114
pubchem_cid: 15984937
smiles: C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1
inchi:
InChI=1S/C25H33FN4O/c1-19-17-29(14-11-27-19)18-21-7-5-20(6-8-21)15-25(31)30-12-9-23(10-13-30)28-24-4-2-3-22(26)16-24/h2-8,16,19,23,27-28H,9-15,17-18H2,1H3/t19-/m0/s1


name: (1Z)-N-[2-(Bromomethyl)-4-methoxyphenyl]-2,2,3,3,4,4,4-heptafluorobutanimidoyl chloride
cas: 923569-78-2
dtxsid: DTXSID60701107
formula: C12H8BrClF7NO
inchikey: ZSKDAYLWELBABO-AFPJDJCSSA-N
norman_susdat_id: NS00110909
smiles: COC1=CC(CBr)=C(C=C1)N=C(/Cl)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H8BrClF7NO/c1-23-7-2-3-8(6(4-7)5-13)22-9(14)10(15,16)11(17,18)12(19,20)21/h2-4H,5H2,1H3/b22-9-


name: Mk-7009
cas: 923590-37-8
chebiid: CHEBI:136047
formula: C38H55N5O9S
inchikey: KUQWGLQLLVFLSM-ONAXAZCASA-N
norman_susdat_id: NS00073083
pubchem_cid: 24765256
inchi:
InChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1

smiles:
CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1


name: Simeprevir
cas: 923604-59-5
chemspiderid: 23331536
formula: C38H47N5O7S2
inchikey: JTZZSQYMACOLNN-UHFFFAOYSA-N
norman_susdat_id: NS00040689
pubchem_cid: 24873435
smiles: COc1ccc2c(OC3CC4C(C3)C(=O)N(C)CCCCC=CC3CC3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C
inchi:
InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)


name: 2-(2,6-dimethyl-4-{3-[4-(methylsulfanyl)phenyl]-3-oxoprop-1-en-1-yl}phenoxy)-2-methylpropanoic acid
cas: 923978-27-2
formula: C22H24O4S
inchikey: AFLFKFHDSCQHOL-IZZDOVSWSA-N
norman_susdat_id: NS00073370
pubchem_cid: 9864881
smiles: CSc1ccc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1
inchi:
InChI=1S/C22H24O4S/c1-14-12-16(13-15(2)20(14)26-22(3,4)21(24)25)6-11-19(23)17-7-9-18(27-5)10-8-17/h6-13H,1-5H3,(H,24,25)/b11-6+


name: 4-Desamino-4-hydroxy trimethoprim
cas: 92440-76-1
chemspiderid: 519653
dtxsid: DTXSID10239006
formula: C14H17N3O4
inchikey: ZKFZTBRMADDRMK-UHFFFAOYSA-N
norman_susdat_id: NS00039461
pubchem_cid: 597783
smiles: COc1cc(Cc2cnc(N)[nH]c2=O)cc(OC)c1OC
inchi:
InChI=1S/C14H17N3O4/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-16-14(15)17-13(9)18/h5-7H,4H2,1-3H3,(H3,15,16,17,18)


name: 2,3,3a,4,5,6-hexahydro-1H-indolo[3,2,1-de][1,5]naphthyridine monohydrochloride
cas: 92446-57-6
formula: C14H16N2
inchikey: OOYHTKAIYUJMLM-UHFFFAOYSA-N
norman_susdat_id: NS00064209
pubchem_cid: 92029623
smiles: Cl.C=1C=CC2=C(C1)C3=C4N2CCCC4NCC3
inchi:
InChI=1/C14H16N2.ClH/c1-2-6-13-10(4-1)11-7-8-15-12-5-3-9-16(13)14(11)12;/h1-2,4,6,12,15H,3,5,7-9H2;1H


name: 2-{[4-(3-Methoxypropoxy)-3-methyl-1-oxo-1lambda~5~-pyridin-2-yl]methanesulfinyl}-1H-benzimidazole
cas: 924663-38-7
chemspiderid: 10603201
dtxsid: DTXSID70582520
formula: C18H21N3O4S1
inchikey: ZOEQFVVMBAVTRU-UHFFFAOYSA-N
norman_susdat_id: NS00004508
pubchem_cid: 16095899
smiles: COCCCOc1cc[n+]([O-])c(CS(=O)c2nc3ccccc3[nH]2)c1C
inchi:
InChI=1S/C18H21N3O4S/c1-13-16(21(22)9-8-17(13)25-11-5-10-24-2)12-26(23)18-19-14-6-3-4-7-15(14)20-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,19,20)


cas: 924726-92-1
chemspiderid: NA
formula: C29H31F1O6
inchikey: DWBRTGARLATHNU-HQZOJQGXSA-N
norman_susdat_id: NS00010017
pubchem_cid: NA
name:
2-((4aS,4bS,5aS,6aS,7R,8R,9aS,9bS,11S)-11-fluoro-7-hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,5a,6,6a,7,8,9,9a,9b,10,11-dodecahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-7-yl)-2-oxoethyl benzoate

inchi:
InChI=1S/C29H31FO6/c1-16-11-19-20-13-22(30)21-12-18(31)9-10-26(21,2)29(20)24(36-29)14-27(19,3)28(16,34)23(32)15-35-25(33)17-7-5-4-6-8-17/h4-10,12,16,19-20,22,24,34H,11,13-15H2,1-3H3/t16-,19+,20+,22+,24+,26+,27+,28+,29-/m1/s1

smiles:
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccccc1


name: 2-Butenediamide, N1,N4-bis(2,4,6-tribromophenyl)-, (2E)-
cas: 92484-07-6
chemspiderid: 4953100
dtxsid: DTXSID40888243
formula: C16H8Br6N2O2
inchikey: IJUNKLAVMFKPCX-UHFFFAOYSA-N
norman_susdat_id: NS00007841
pubchem_cid: 3086350
smiles: Brc1cc(Br)c(NC(=O)C=CC(=O)Nc2c(Br)cc(Br)cc2Br)c(Br)c1
inchi:
InChI=1S/C16H8Br6N2O2/c17-7-3-9(19)15(10(20)4-7)23-13(25)1-2-14(26)24-16-11(21)5-8(18)6-12(16)22/h1-6H,(H,23,25)(H,24,26)


name: 2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate
cas: 924894-08-6
dtxsid: DTXSID90895987
formula: C10H2F20O3S
inchikey: BQOLVFQIEAAHQR-UHFFFAOYSA-N
norman_susdat_id: NS00112129
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H2F20O3S/c11-2(12,3(13,14)4(15,16)5(17,18)8(23,24)25)1-33-34(31,32)10(29,30)7(21,22)6(19,20)9(26,27)28/h1H2


cas: 924894-11-1
dtxsid: DTXSID80896029
formula: C16H2F32O3S
inchikey: RWORWXDIJRECQZ-UHFFFAOYSA-N
norman_susdat_id: NS00111780
name:
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecyl nonafluorobutane-1-sulfonate

inchi:
InChI=1S/C16H2F32O3S/c17-2(18,1-51-52(49,50)16(47,48)13(39,40)12(37,38)15(44,45)46)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)14(41,42)43/h1H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: [2,2'-dimethyl[1,1'-biphenyl]-4,4'-diyl]diammonium sulphate
cas: 92505-73-2
formula: C14H16N2.H2O4S
inchikey: FHSDJMQCUQJUAE-UHFFFAOYSA-N
norman_susdat_id: NS00091879
smiles: Cc1cc([NH3+])ccc1c2ccc([NH3+])cc2C.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C14H16N2.H2O4S/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2;1-5(2,3)4/h3-8H,15-16H2,1-2H3;(H2,1,2,3,4)


name: Cerlapirdine
cas: 925447-04-7
formula: C22H23N3O3S
inchikey: NXQGEDVQXVTCDA-UHFFFAOYSA-N
norman_susdat_id: NS00072142
smiles: CN(C)CCCOc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1
inchi:
InChI=1S/C22H23N3O3S/c1-25(2)13-6-14-28-17-11-12-20-19(15-17)22(24-23-20)29(26,27)21-10-5-8-16-7-3-4-9-18(16)21/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,24)


name: Salvinorin B
cas: 92545-30-7
chemspiderid: 9615549
dtxsid: DTXSID50465988
formula: C21H26O7
inchikey: BLTMVAIOAAGYAR-CEFSSPBYSA-N
norman_susdat_id: NS00017339
pubchem_cid: 11440685
smiles: CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC)O)C)C4=COC=C4
inchi:
InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1


cas: 925457-51-8
dtxsid: DTXSID60896188
formula: C26H34F14N4
inchikey: UYRIJNJIDYTBCG-UHFFFAOYSA-N
norman_susdat_id: NS00111104
smiles: CC(C)(C)C1=NCCCN=C(CC(=NCCCN=C(C1)C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)F
name:
(1Z,4Z,9Z,12E)-2,10-Di-tert-butyl-4,12-bis(heptafluoropropyl)-1,5,9,13-tetraazacyclohexadeca-1,4,9,12-tetraene

inchi:
InChI=1S/C26H34F14N4/c1-19(2,3)15-13-17(21(27,28)23(31,32)25(35,36)37)43-12-8-10-42-16(20(4,5)6)14-18(44-11-7-9-41-15)22(29,30)24(33,34)26(38,39)40/h7-14H2,1-6H3


name: NSC201707
cas: 92553-92-9
chemspiderid: 269689
dtxsid: DTXSID10308049
formula: C15H13N1O4
inchikey: JQTHUVDYBPXSFO-UHFFFAOYSA-N
norman_susdat_id: NS00016173
pubchem_cid: 304974
smiles: C1=CC=C(C=C1)C(C(=O)O)NC2=CC=CC=C2C(=O)O
inchi:
InChI=1S/C15H13NO4/c17-14(18)11-8-4-5-9-12(11)16-13(15(19)20)10-6-2-1-3-7-10/h1-9,13,16H,(H,17,18)(H,19,20)


name: NSC-57537
cas: 92569-29-4
chemspiderid: 214766
dtxsid: DTXSID80288768
formula: C18H22O2
inchikey: AAPXEEHBELUIMJ-UHFFFAOYSA-N
norman_susdat_id: NS00004215
pubchem_cid: 245510
smiles: CCC(CC)C(c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C18H22O2/c1-3-13(4-2)18(14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h5-13,18-20H,3-4H2,1-2H3


cas: 92589-42-9
dtxsid: DTXSID00896288
formula: C37H47ClF10N2O6
inchikey: YTOFLHPVWVZTSR-UHFFFAOYSA-N
norman_susdat_id: NS00109044
smiles: CCCCCCCCCCCCCCCOc1cccc(OC(CC)C(=O)Nc2cc(O)c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2OC(F)(F)C(F)Cl)c1
name:
N-[5-(2-Chloro-1,1,2-trifluoroethoxy)-2-hydroxy-4-{2-[3-(pentadecyloxy)phenoxy]butanamido}phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide

inchi:
InChI=1/C37H47ClF10N2O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-54-24-18-17-19-25(21-24)55-29(4-2)31(52)49-27-22-28(51)26(23-30(27)56-35(42,43)32(38)39)50-33(53)34(40,41)36(44,45)37(46,47)48/h17-19,21-23,29,32,51H,3-16,20H2,1-2H3,(H,49,52)(H,50,53)


name: N-L-alanyl-N-L-alanyl-N-L-alanyl-L-alanine
cas: 926-79-4
formula: C12H22N4O5
inchikey: ZHRZLXZJVUFLNY-UHFFFAOYSA-N
norman_susdat_id: NS00042195
pubchem_cid: NA
smiles: O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C)C)C
inchi:
InChI=1/C12H22N4O5/c1-5(13)9(17)14-6(2)10(18)15-7(3)11(19)16-8(4)12(20)21/h5-8H,13H2,1-4H3,(H,14,17)(H,15,18)(H,16,19)(H,20,21)


name: Radotinib
cas: 926037-48-1
dtxsid: DTXSID90239069
formula: C27H21F3N8O
inchikey: DUPWHXBITIZIKZ-UHFFFAOYSA-N
norman_susdat_id: NS00072859
pubchem_cid: 16063245
smiles: Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cnccn5)n4)c3)cc(C(F)(F)F)c2)cn1
inchi:
InChI=1S/C27H21F3N8O/c1-16-3-4-18(9-23(16)37-26-33-6-5-22(36-26)24-13-31-7-8-32-24)25(39)35-20-10-19(27(28,29)30)11-21(12-20)38-14-17(2)34-15-38/h3-15H,1-2H3,(H,35,39)(H,33,36,37)


name: 2-[(4-isocyanatocyclohexyl)methyl]-p-tolyl isocyanate
cas: 92612-63-0
dtxsid: DTXSID40919061
formula: C16H18N2O2
inchikey: YJEOUNRXNGWUTL-UHFFFAOYSA-N
norman_susdat_id: NS00064437
pubchem_cid: 3021999
smiles: O=C=NC1=CC=C(C=C1CC2CCC(N=C=O)CC2)C
inchi:
InChI=1/C16H18N2O2/c1-12-2-7-16(18-11-20)14(8-12)9-13-3-5-15(6-4-13)17-10-19/h2,7-8,13,15H,3-6,9H2,1H3


name: 5-[(4-isocyanatocyclohexyl)methyl]-o-tolyl isocyanate
cas: 92612-64-1
dtxsid: DTXSID80919060
formula: C16H18N2O2
inchikey: OKFSMWLCRSNGEA-UHFFFAOYSA-N
norman_susdat_id: NS00064037
pubchem_cid: 3022000
smiles: O=C=NC1=CC(=CC=C1C)CC2CCC(N=C=O)CC2
inchi:
InChI=1/C16H18N2O2/c1-12-2-3-14(9-16(12)18-11-20)8-13-4-6-15(7-5-13)17-10-19/h2-3,9,13,15H,4-8H2,1H3


name: 4-((4-Isocyanatocyclohexyl)methyl)-o-tolylisocyanate
cas: 92612-69-6
chemspiderid: 2288589
dtxsid: DTXSID40239074
formula: C16H18N2O2
inchikey: OXKKRUDDTDMSAF-UHFFFAOYSA-N
norman_susdat_id: NS00039476
pubchem_cid: 3022001
smiles: Cc1c(ccc(CC2CCC(CC2)N=C=O)c1)N=C=O
inchi:
InChI=1S/C16H18N2O2/c1-12-8-14(4-7-16(12)18-11-20)9-13-2-5-15(6-3-13)17-10-19/h4,7-8,13,15H,2-3,5-6,9H2,1H3/t13-,15+


name: 4-[(2-isocyanatocyclohexyl)methyl]-o-tolyl isocyanate
cas: 92612-73-2
dtxsid: DTXSID10919058
formula: C16H18N2O2
inchikey: YXGBOYICWSIVCG-UHFFFAOYSA-N
norman_susdat_id: NS00065247
pubchem_cid: 3022002
smiles: O=C=NC1=CC=C(C=C1C)CC2CCCCC2N=C=O
inchi:
InChI=1/C16H18N2O2/c1-12-8-13(6-7-15(12)17-10-19)9-14-4-2-3-5-16(14)18-11-20/h6-8,14,16H,2-5,9H2,1H3


name: Pravadoline
cas: 92623-83-1
chemspiderid: 50942
dtxsid: DTXSID2046127
formula: C23H26N2O3
inchikey: MEUQWHZOUDZXHH-UHFFFAOYSA-N
norman_susdat_id: NS00009981
pubchem_cid: 56463
smiles: COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12
inchi:
InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3


name: Milnacipran
cas: 92623-85-3
chebiid: CHEBI:94468
chemspiderid: 59245
dtxsid: DTXSID3048287
formula: C15H22N2O1
inchikey: GJJFMKBJSRMPLA-HIFRSBDPSA-N
norman_susdat_id: NS00005402
pubchem_cid: 65833
smiles: CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c1ccccc1
inchi:
InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1


name: 1-Deoxy-2-O-phosphonohept-2-ulopyranose
cas: 92642-58-5
dtxsid: DTXSID70919034
formula: C7H15O9P
inchikey: QZBAZODTRUGOQS-XUUWZHRGSA-N
norman_susdat_id: NS00070163
pubchem_cid: 124823
smiles: C[C@]1(OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C7H15O9P/c1-7(16-17(12,13)14)6(11)5(10)4(9)3(2-8)15-7/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1


name: 6-chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium chloride
cas: 92668-87-6
formula: C22H22ClN2O.Cl
inchikey: HBZGIOLWTCTCOX-UHFFFAOYSA-M
norman_susdat_id: NS00092180
smiles: [Cl-].CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Cl)c4cccc2c34
inchi:
InChI=1/C22H22ClN2O.ClH/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;/h4-12,26H,3,13-14H2,1-2H3;1H/q+1;/p-1


name: Altitoxin A
cas: 92675-11-1
dtxsid: DTXSID20896902
formula: C15H24O4
inchikey: LGLGMAPTXWEBIH-MGZPQWHJSA-N
norman_susdat_id: NS00075406
smiles: C[C@]1(O)C[C@@H]2O[C@@]22C(C)(C)CCC[C@]2(C)[C@H]1C(O)=O
inchi:
InChI=1S/C15H24O4/c1-12(2)6-5-7-13(3)10(11(16)17)14(4,18)8-9-15(12,13)19-9/h9-10,18H,5-8H2,1-4H3,(H,16,17)/t9-,10+,13+,14-,15+/m0/s1


name: Cefprozil
cas: 92676-86-3
chemspiderid: 4444481
formula: C18H19N3O5S1
inchikey: WDLWHQDACQUCJR-ZAMMOSSLSA-N
norman_susdat_id: NS00011560
pubchem_cid: 40466862
smiles: C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)SC1)C(=O)O
inchi:
InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2+/t12-,13-,17-/m1/s1


name: Sodium hydrogen (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phosphonate
cas: 92678-93-8
dtxsid: DTXSID10896698
formula: C10H5F17NaO3P
inchikey: KNBHSQUSQNUBFN-UHFFFAOYSA-M
norman_susdat_id: NS00109447
smiles: [Na+].OP([O-])(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H6F17O3P.Na/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27;/h1-2H2,(H2,28,29,30);/q;+1/p-1


name: N,N-diethylethanaminium ((perfluorooctyl)ethyl)phosphonate (1:1)
cas: 92678-96-1
dtxsid: DTXSID30896993
formula: C16H21F17NO3P
inchikey: JQCZFFWYDHABNG-UHFFFAOYSA-N
norman_susdat_id: NS00110144
smiles: CC[NH+](CC)CC.OP([O-])(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H6F17O3P.C6H15N/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27;1-4-7(5-2)6-3/h1-2H2,(H2,28,29,30);4-6H2,1-3H3


name: 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctan-2-yl carbamate
cas: 92681-65-7
dtxsid: DTXSID30896716
formula: C9H2F17NO2
inchikey: MUVDADSEPBGINH-UHFFFAOYSA-N
norman_susdat_id: NS00110138
smiles: NC(=O)OC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C9H2F17NO2/c10-2(11,4(14,15)6(18,19)8(21,22)23)3(12,13)5(16,17)7(20,9(24,25)26)29-1(27)28/h(H2,27,28)


cas: 92683-20-0
chemspiderid: NA
dtxsid: DTXSID10545871
formula: C38H52Cl1N3O7
inchikey: JBTJAJPZXJDKOB-UHFFFAOYSA-N
norman_susdat_id: NS00003071
pubchem_cid: 13651216
smiles: CCCCCCCCCCCCOC(=O)c1ccc(Cl)c(NC(=O)C(N2C(=O)C(OCC)N(Cc3ccccc3)C2=O)C(=O)C(C)(C)C)c1
name:
Dodecyl 3-{[2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino}-4-chlorobenzoate

inchi:
InChI=1S/C38H52ClN3O7/c1-6-8-9-10-11-12-13-14-15-19-24-49-36(46)28-22-23-29(39)30(25-28)40-33(44)31(32(43)38(3,4)5)42-34(45)35(48-7-2)41(37(42)47)26-27-20-17-16-18-21-27/h16-18,20-23,25,31,35H,6-15,19,24,26H2,1-5H3,(H,40,44)


name: Ar-522
cas: 92689-49-1
dtxsid: DTXSID70869101
formula: C26H25IO11
inchikey: CIDNKDMVSINJCG-GKXONYSUSA-N
norman_susdat_id: NS00069570
pubchem_cid: 115212
inchi:
InChI=1S/C26H25IO11/c1-9-19(30)24(35)18(27)25(37-9)38-13-7-26(36,14(29)8-28)6-12-15(13)23(34)17-16(22(12)33)20(31)10-4-2-3-5-11(10)21(17)32/h2-5,9,13,18-19,24-25,28,30,33-36H,6-8H2,1H3/t9-,13-,18+,19-,24-,25-,26-/m0/s1

smiles:
C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)[C@H](I)[C@H](O)[C@H]1O


name: Motolimod
cas: 926927-61-9
dtxsid: DTXSID10239107
formula: C28H34N4O2
inchikey: QSPOQCXMGPDIHI-UHFFFAOYSA-N
norman_susdat_id: NS00072132
pubchem_cid: 16049404
smiles: CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2N=C(N)C1
inchi:
InChI=1S/C28H34N4O2/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30)


name: 1,3-Propanediol, 2-(octadecyloxy)-
cas: 927-18-4
chemspiderid: 92077
dtxsid: DTXSID0061294
formula: C21H44O3
inchikey: YGDQPIRPQXPCJT-UHFFFAOYSA-N
norman_susdat_id: NS00039483
pubchem_cid: 101915
smiles: CCCCCCCCCCCCCCCCCCOC(CO)CO
inchi:
InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21(19-22)20-23/h21-23H,2-20H2,1H3


name: MAGNESIUM GLYCERO- PHOSPHATE
cas: 927-20-8
chemspiderid: 12618
formula: C5H13O6P1
inchikey: WRTRZAGRUVFFKR-UHFFFAOYSA-N
norman_susdat_id: NS00013841
pubchem_cid: 13171
smiles: [Mg++].[Mg++].OCCC(CCO)O[P]([O-])([O-])=O.OCC(O)CO[P]([O-])([O-])=O
inchi:
InChI=1S/C5H13O6P.C3H9O6P.2Mg/c6-3-1-5(2-4-7)11-12(8,9)10;4-1-3(5)2-9-10(6,7)8;;/h5-7H,1-4H2,(H2,8,9,10);3-5H,1-2H2,(H2,6,7,8);;/q;;2*+2/p-4


name: Benzyl {5-[acetyl(hydroxy)amino]pentyl}carbamate
cas: 92700-68-0
chemspiderid: 28709984
dtxsid: DTXSID50758140
formula: C15H22N2O4
inchikey: DXFYIBHRRGRJGM-UHFFFAOYSA-N
norman_susdat_id: NS00007918
pubchem_cid: 71329299
smiles: CC(=O)N(O)CCCCCNC(=O)OCc1ccccc1
inchi:
InChI=1S/C15H22N2O4/c1-13(18)17(20)11-7-3-6-10-16-15(19)21-12-14-8-4-2-5-9-14/h2,4-5,8-9,20H,3,6-7,10-12H2,1H3,(H,16,19)


name: N-(1-oxo-2-phenylbutyl)-DL-methionine
cas: 92702-71-1
formula: C15H21NO3S
inchikey: PPPZIKYQTYHWJF-ABLWVSNPSA-N
norman_susdat_id: NS00063967
pubchem_cid: 44147215
smiles: O=C(O)C(NC(=O)C(C=1C=CC=CC1)CC)CCSC
inchi:
InChI=1/C15H21NO3S/c1-3-12(11-7-5-4-6-8-11)14(17)16-13(15(18)19)9-10-20-2/h4-8,12-13H,3,9-10H2,1-2H3,(H,16,17)(H,18,19)


name: Dodecyl hydrogen sebacate
cas: 92739-54-3
dtxsid: DTXSID30918982
formula: C22H42O4
inchikey: GIGYJAKGGCCFLM-UHFFFAOYSA-N
norman_susdat_id: NS00065107
pubchem_cid: 14420741
smiles: O=C(O)CCCCCCCCC(=O)OCCCCCCCCCCCC
inchi:
InChI=1/C22H42O4/c1-2-3-4-5-6-7-8-11-14-17-20-26-22(25)19-16-13-10-9-12-15-18-21(23)24/h2-20H2,1H3,(H,23,24)


name: 2-Hydroxyethyl heptadecafluorononanoate
cas: 92746-93-5
dtxsid: DTXSID10534164
formula: C11H5F17O3
inchikey: OSZDQCXIGLZJLU-UHFFFAOYSA-N
norman_susdat_id: NS00109169
smiles: OCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H5F17O3/c12-4(13,3(30)31-2-1-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h29H,1-2H2


name: Ecamsule
cas: 92761-26-7
dtxsid: DTXSID80869056
formula: C28H34O8S2
inchikey: HEAHZSUCFKFERC-GDLVRCQRSA-N
norman_susdat_id: NS00073298
smiles: CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)/C2=C/c1ccc(/C=C2/C(=O)[C@@]3(CS(=O)(=O)O)CC[C@H]2C3(C)C)cc1
inchi:
InChI=1S/C28H34O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-22H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22+,27+,28-


name: Heptadecafluorooctane-2-sulfonic acid
cas: 927670-12-0
dtxsid: DTXSID30895921
formula: C8HF17O3S
inchikey: LYZNUCXUQHMFTA-UHFFFAOYSA-N
norman_susdat_id: NS00108772
smiles: OS(=O)(=O)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(20,21)22)2(11,12)4(15,16)6(19,8(23,24)25)29(26,27)28/h(H,26,27,28)


name: 6,7-dimethoxy-4-[3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline
cas: 927691-21-2
dtxsid: DTXSID10470891
formula: C22H21N5O3
inchikey: UBIIFKJMNRPNMT-CQSZACIVSA-N
norman_susdat_id: NS00071173
pubchem_cid: 11955614
smiles: COc1cc2ncnc(N3CC[C@@H](Oc4cnc5ccccc5n4)C3)c2cc1OC
inchi:
InChI=1S/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1


cas: 92771-38-5
dtxsid: DTXSID8072954
formula: C27H31Cl2N2O8S2
inchikey: WBEYWDOEKGGXFF-UHFFFAOYSA-N
norman_susdat_id: NS00063804
pubchem_cid: NA
name:
Hydrogen 5-chloro-2-[2-[[5-chloro-3-(4-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-3-(4-sulphonatobutyl)benzoxazolium, compound with triethylamine (1:1)

inchi:
InChI=1/C27H30Cl2N2O8S2.C6H15N.H2/c1-2-19(15-26-30(11-3-5-13-40(32,33)34)22-17-20(28)7-9-24(22)38-26)16-27-31(12-4-6-14-41(35,36)37)23-18-21(29)8-10-25(23)39-27;1-4-7(5-2)6-3;/h7-10,15-18H,2-6,11-14H2,1H3,(H-,32,33,34,35,36,37);4-6H2,1-3H3;1H/q;;+1/p-1

smiles:
[H+].O=S(=O)([O-])CCCCN1C(OC2=CC=C(Cl)C=C21)=CC(=CC=3OC=4C=CC(Cl)=CC4[N+]3CCCCS(=O)(=O)[O-])CC.N(CC)(CC)CC


name: N,N,N-Trimethyloctan-1-aminium pentadecafluorooctanoate
cas: 927835-01-6
dtxsid: DTXSID90895568
formula: C19H26F15NO2
inchikey: AOVKXYRLTUFQHK-UHFFFAOYSA-M
norman_susdat_id: NS00112102
smiles: CCCCCCCC[N+](C)(C)C.[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H26N.C8HF15O2/c1-5-6-7-8-9-10-11-12(2,3)4;9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h5-11H2,1-4H3;(H,24,25)/q+1;/p-1


name: Chir-265
cas: 927880-90-8
chebiid: CHEBI:91451
formula: C24H16F6N6O
inchikey: YABJJWZLRMPFSI-UHFFFAOYSA-N
norman_susdat_id: NS00071590
pubchem_cid: 11656518
smiles: Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21
inchi:
InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)


name: GLYCOL DIOLEATE
cas: 928-24-5
chemspiderid: 4941495
formula: C38H70O4
inchikey: NKSOSPOXQKNIKJ-XPWSMXQVSA-N
norman_susdat_id: NS00013713
pubchem_cid: 6436888
smiles: CCCCCCCC/C=C/CCCCCCCC(=O)OCCOC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1S/C38H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3/b19-17+,20-18+


name: Acetyl tetrapeptide-9
cas: 928006-50-2
chemspiderid: 9781051
dtxsid: DTXSID00239151
formula: C22H33N7O9
inchikey: QNZANUZIBYJBIN-XSWJXKHESA-N
norman_susdat_id: NS00039488
pubchem_cid: 11606295
smiles: CC(C)[C@](NC(=O)[C@H](CCC(=O)N)NC(=O)C)(C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O)C(=O)[C@@H](N)CC(=O)O
inchi:
InChI=1S/C22H33N7O9/c1-10(2)22(18(34)13(23)7-17(32)33,29-19(35)14(27-11(3)30)4-5-16(24)31)21(38)28-15(20(36)37)6-12-8-25-9-26-12/h8-10,13-15H,4-7,23H2,1-3H3,(H2,24,31)(H,25,26)(H,27,30)(H,28,38)(H,29,35)(H,32,33)(H,36,37)/t13-,14-,15-,22+/m0/s1


name: Golvatinib
cas: 928037-13-2
dtxsid: DTXSID40239155
formula: C33H37F2N7O4
inchikey: UQRCJCNVNUFYDX-UHFFFAOYSA-N
norman_susdat_id: NS00072534
pubchem_cid: 16118392
smiles: CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1
inchi:
InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)


name: LCI-699
cas: 928134-65-0
dtxsid: DTXSID40156570
formula: C13H10FN3
inchikey: USUZGMWDZDXMDG-CYBMUJFWSA-N
norman_susdat_id: NS00072969
pubchem_cid: 44139752
smiles: N#Cc1ccc([C@H]2CCc3cncn32)c(F)c1
inchi:
InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1


cas: 92814-52-3
dtxsid: DTXSID50918944
formula: C33H31ClN2O3
inchikey: GIQNBVYTNXNYCR-UHFFFAOYSA-N
norman_susdat_id: NS00064381
pubchem_cid: 44146863
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)NC=5C=CC=CC5Cl)N(CC)CCC(C)C)C=6C=CC=CC16
name:
2'-[(2-chlorophenyl)amino]-6'-[ethyl(3-methylbutyl)amino]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one

inchi:
InChI=1/C33H31ClN2O3/c1-4-36(18-17-21(2)3)23-14-15-26-31(20-23)38-30-16-13-22(35-29-12-8-7-11-28(29)34)19-27(30)33(26)25-10-6-5-9-24(25)32(37)39-33/h5-16,19-21,35H,4,17-18H2,1-3H3


cas: 92814-53-4
dtxsid: DTXSID90918943
formula: C40H37N3O5S
inchikey: DMIQZCQYNXARKX-UHFFFAOYSA-N
norman_susdat_id: NS00064823
pubchem_cid: 44150138
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)NC5=CC=C(C=C5)S(=O)(=O)N6CCCCC6)N(C7=CC=C(C=C7)C)CC)C=8C=CC=CC18
name:
1-[[4-[[6'-[ethyl(p-tolyl)amino]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]piperidine

inchi:
InChI=1/C40H37N3O5S/c1-3-43(30-16-11-27(2)12-17-30)31-18-21-35-38(26-31)47-37-22-15-29(25-36(37)40(35)34-10-6-5-9-33(34)39(44)48-40)41-28-13-19-32(20-14-28)49(45,46)42-23-7-4-8-24-42/h5-6,9-22,25-26,41H,3-4,7-8,23-24H2,1-2H3


name: Methyl 3-chloro-4-(2-(4-(methoxycarbonyl)phenoxy)ethoxy)benzoate
cas: 92832-37-6
chemspiderid: 2288613
dtxsid: DTXSID80239159
formula: C18H17Cl1O6
inchikey: RBTPNQHMKIAYMR-UHFFFAOYSA-N
norman_susdat_id: NS00039491
pubchem_cid: 3022027
smiles: COC(=O)c1ccc(OCCOc2c(Cl)cc(cc2)C(=O)OC)cc1
inchi:
InChI=1S/C18H17ClO6/c1-22-17(20)12-3-6-14(7-4-12)24-9-10-25-16-8-5-13(11-15(16)19)18(21)23-2/h3-8,11H,9-10H2,1-2H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iodotetradecane
cas: 92835-74-0
dtxsid: DTXSID50895286
formula: C14H12F17I
inchikey: UAKCXZYWOHJHOQ-UHFFFAOYSA-N
norman_susdat_id: NS00110696
smiles: CCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C14H12F17I/c1-2-3-4-6(32)5-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h6H,2-5H2,1H3


name: Disodium dihydrogen [(tetradecylimino)bis(methylene)]diphosphonate
cas: 92836-85-6
formula: C16H37NO6P2.2Na
inchikey: PGFAFMZVUNYIPW-UHFFFAOYSA-J
norman_susdat_id: NS00092776
smiles: [Na+].[Na+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C16H37NO6P2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);;/q;2*+1/p-4


cas: 928655-42-9
dtxsid: DTXSID10896537
formula: C17H14F23NO3
inchikey: NCAHMWXMGORZAL-UHFFFAOYSA-N
norman_susdat_id: NS00109432
smiles: CCCNCCCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
name:
4,5,5,5-Tetrafluoro-4-{1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propoxy}-N-propylpentan-1-amine

inchi:
InChI=1/C17H14F23NO3/c1-2-5-41-6-3-4-7(18,11(23,24)25)42-16(37,38)9(21,13(29,30)31)44-17(39,40)10(22,14(32,33)34)43-15(35,36)8(19,20)12(26,27)28/h41H,2-6H2,1H3


name: Eliglustat
cas: 928659-70-5
chebiid: CHEBI:82752
dtxsid: DTXSID20964175
formula: C23H36N2O4
inchikey: FJZZPCZKBUKGGU-AUSIDOKSSA-N
norman_susdat_id: NS00099363
pubchem_cid: 23652731
smiles: CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2
inchi:
InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23-/m1/s1


name: 1-Benzyl-5,5-diethylbarbituric acid
cas: 92870-36-5
chemspiderid: 1548648
dtxsid: DTXSID10239167
formula: C15H18N2O3
inchikey: YSCCFYUEQXOKHY-UHFFFAOYSA-N
norman_susdat_id: NS00039498
pubchem_cid: 2054534
smiles: CCC1(CC)C(=O)NC(=O)N(Cc2ccccc2)C1=O
inchi:
InChI=1S/C15H18N2O3/c1-3-15(4-2)12(18)16-14(20)17(13(15)19)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,18,20)


name: N,N-Diallyl-5-methoxytryptamine
cas: 928822-98-4
chemspiderid: 21106245
dtxsid: DTXSID30239169
formula: C17H22N2O1
inchikey: HGRHWEAUHXYNNP-UHFFFAOYSA-N
norman_susdat_id: NS00017658
pubchem_cid: 50878551
smiles: COC1=CC2=C(C=C1)NC=C2CCN(CC=C)CC=C
inchi:
InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3


name: 4,4-Bis[(3,3,4,4,5,5,6,6,6-nonafluorohexyl)sulfanyl]pentanoic acid
cas: 92886-04-9
dtxsid: DTXSID20607131
formula: C17H16F18O2S2
inchikey: IBWLYZQXVSGTFO-UHFFFAOYSA-N
norman_susdat_id: NS00109539
smiles: CC(CCC(O)=O)(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C17H16F18O2S2/c1-9(3-2-8(36)37,38-6-4-10(18,19)12(22,23)14(26,27)16(30,31)32)39-7-5-11(20,21)13(24,25)15(28,29)17(33,34)35/h2-7H2,1H3,(H,36,37)


name: DIOLEOYLAMIDOETHYL HYDROXYETHYLMONIUM METHOSULFATE
cas: 92888-37-4
chemspiderid: 4896785
formula: C43H83N3O3
inchikey: UQKMTOGDXMKMRD-XPWSMXQVSA-N
norman_susdat_id: NS00013603
pubchem_cid: 6366202
smiles: CCCCCCCC/C=C/CCCCCCCC(=O)NCC[NH+](CCCO)CCNC(=O)CCCCCCCC=CCCCCCCCC.CO[S]([O-])(=O)=O
inchi:
InChI=1S/C43H83N3O3.CH4O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(48)44-36-39-46(38-33-41-47)40-37-45-43(49)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5-6(2,3)4/h17-20,47H,3-16,21-41H2,1-2H3,(H,44,48)(H,45,49);1H3,(H,2,3,4)/b19-17+,20-18+;


name: 2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide
cas: 929007-72-7
chebiid: CHEBI:40332
formula: C17H15N5O2
inchikey: QHPKKGUGRGRSGA-UHFFFAOYSA-N
norman_susdat_id: NS00071188
pubchem_cid: 16058637
smiles: NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
inchi:
InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)


name: Pracinostat
cas: 929016-96-6
chebiid: CHEBI:95071
dtxsid: DTXSID00239196
formula: C20H30N4O2
inchikey: JHDKZFFAIZKUCU-ZRDIBKRKSA-N
norman_susdat_id: NS00072511
pubchem_cid: 49855250
smiles: CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC
inchi:
InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+


name: [3,2-c]Pyrazole-androst-4-en-17β-ol
cas: 929042-39-7
chemspiderid: 35519206
formula: C20H28N2O1
inchikey: TZVXVVYNTVBMQS-GJCUDGATSA-N
norman_susdat_id: NS00018388
pubchem_cid: 125181411
smiles: [H][C@]12[C@@]([C@@](CC[C@@H]3O)([H])[C@]3(C)CC2)([H])CCC4=CC5=C(C=NN5)C[C@@]41C
inchi:
InChI=1S/C20H28N2O/c1-19-8-7-16-14(15(19)5-6-18(19)23)4-3-13-9-17-12(11-21-22-17)10-20(13,16)2/h9,11,14-16,18,23H,3-8,10H2,1-2H3,(H,21,22)/t14-,15-,16-,18-,19-,20-/m0/s1


name: 4-(Heptadecafluorooctyl)-1H-pyrazole
cas: 92914-86-8
dtxsid: DTXSID00534794
formula: C11H3F17N2
inchikey: NQDRASINBDLRQZ-UHFFFAOYSA-N
norman_susdat_id: NS00108815
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CNN=C1
inchi:
InChI=1S/C11H3F17N2/c12-4(13,3-1-29-30-2-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H,(H,29,30)


name: Chrysomycin B
cas: 92934-54-8
chemspiderid: 152079
formula: C27H28O9
inchikey: BJPYMDSMDBCKEP-UHFFFAOYSA-N
norman_susdat_id: NS00011719
pubchem_cid: 174343
smiles: COc1cc(C)cc2C(=O)Oc3c(cc(OC)c4c(O)ccc(C5OC(C)C(O)C(C)(O)C5O)c34)c12
inchi:
InChI=1S/C27H28O9/c1-11-8-15-19(17(9-11)33-4)14-10-18(34-5)21-16(28)7-6-13(20(21)22(14)36-26(15)31)23-25(30)27(3,32)24(29)12(2)35-23/h6-10,12,23-25,28-30,32H,1-5H3


name: (2|A,3|A,5|A,14xi,22r)-2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl dihydrogen phosphate
cas: 92934-64-0
dtxsid: DTXSID60276365
formula: C27H45O10P
inchikey: VQMWDPXOYFYYKP-UWZSVDBBSA-N
norman_susdat_id: NS00076360
inchi:
InChI=1S/C27H45O10P/c1-23(2,31)9-8-22(37-38(34,35)36)26(5,32)21-7-11-27(33)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-33H,6-11,13-14H2,1-5H3,(H2,34,35,36)/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27?/m0/s1

smiles:
CC(C)(O)CC[C@@H](OP(O)(O)=O)[C@](C)(O)[C@H]1CCC2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C


name: Lithium dibutyl(1-methylpropyl)magnesate(1-)
cas: 92951-64-9
formula: C12H27Mg.Li
inchikey: OHHLUVMKHILDKL-UHFFFAOYSA-N
norman_susdat_id: NS00092141
smiles: [Li+].CCCC[Mg-](CCCC)C(C)CC
inchi:
InChI=1/3C4H9.Li.Mg/c3*1-3-4-2;;/h3H,4H2,1-2H3;2*1,3-4H2,2H3;;/q;;;+1;-1/rC12H27Mg.Li/c1-5-8-10-13(11-9-6-2)12(4)7-3;/h12H,5-11H2,1-4H3;/q-1;+1


name: 6-chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium acetate
cas: 92952-73-3
dtxsid: DTXSID1074381
formula: C22H22ClN2O
inchikey: GIAXHZDAQMKKKP-UHFFFAOYSA-M
norman_susdat_id: NS00064291
pubchem_cid: 175531
smiles: O=C([O-])C.ClC1=CC=C2C3=C1C=CC=C3C(C=4C=CC(=CC4)N(CC)CCO)=[N+]2C
inchi:
InChI=1/C22H22ClN2O.C2H4O2/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;1-2(3)4/h4-12,26H,3,13-14H2,1-2H3;1H3,(H,3,4)/q+1;/p-1


name: Clofilium
cas: 92953-10-1
chebiid: CHEBI:34649
chemspiderid: 152930
formula: C21H37Cl1N1
inchikey: WPSYTTKBGAZSCX-UHFFFAOYSA-N
norman_susdat_id: NS00015390
pubchem_cid: 2798
smiles: CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl
inchi:
InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1


name: Tesmilifene
cas: 92981-78-7
chebiid: CHEBI:93414
dtxsid: DTXSID1045661
formula: C19H25NO
inchikey: NFIXBCVWIPOYCD-UHFFFAOYSA-N
norman_susdat_id: NS00068082
pubchem_cid: 108092
smiles: CCN(CC)CCOc1ccc(Cc2ccccc2)cc1
inchi:
InChI=1S/C19H25NO/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3


name: 1,2-Ethanediyl bis(perfluorobutanesulfonate)
cas: 92982-03-1
dtxsid: DTXSID60897019
formula: C10H4F18O6S2
inchikey: BDECUGBELKMLSH-UHFFFAOYSA-N
norman_susdat_id: NS00111162
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)OCCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H4F18O6S2/c11-3(12,7(19,20)21)5(15,16)9(25,26)35(29,30)33-1-2-34-36(31,32)10(27,28)6(17,18)4(13,14)8(22,23)24/h1-2H2


name: Heptasodium hydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 92988-65-3
formula: C6H20N2O12P4.7Na
inchikey: ZLDUVWQWLWIGBR-UHFFFAOYSA-F
norman_susdat_id: NS00092681
inchi:
InChI=1/C6H20N2O12P4.7Na/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;/q;7*+1/p-8

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: A-689
cas: 929890-64-2
formula: C32H35F3N4O5S
inchikey: MAQDQJWCSSCURR-UHFFFAOYSA-N
norman_susdat_id: NS00073081
pubchem_cid: 57339445
smiles: CCCS(=O)(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(NC(=O)C5CC5)ccc4OC(F)(F)F)cc3)cc2)CC1
inchi:
InChI=1S/C32H35F3N4O5S/c1-2-19-45(42,43)39-17-15-38(16-18-39)21-22-3-11-26(12-4-22)36-30(40)24-7-5-23(6-8-24)28-20-27(37-31(41)25-9-10-25)13-14-29(28)44-32(33,34)35/h3-8,11-14,20,25H,2,9-10,15-19,21H2,1H3,(H,36,40)(H,37,41)


name: 10-Deacetylbaccatin III
cas: 92999-93-4
chemspiderid: 58313
formula: C29H36O10
inchikey: YWLXLRUDGLRYDR-UHFFFAOYSA-N
norman_susdat_id: NS00015516
pubchem_cid: 125001
smiles: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O
inchi:
InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3


name: LAURYL ISOQUINOLI- NIUM BROMIDE
cas: 93-23-2
chemspiderid: 6866
formula: C21H32N1
inchikey: ZFCMISKWVFUWHP-UHFFFAOYSA-N
norman_susdat_id: NS00013832
pubchem_cid: 7133
smiles: [Br-].CCCCCCCCCCCC[n+]1ccc2ccccc2c1
inchi:
InChI=1S/C21H32N.BrH/c1-2-3-4-5-6-7-8-9-10-13-17-22-18-16-20-14-11-12-15-21(20)19-22;/h11-12,14-16,18-19H,2-10,13,17H2,1H3;1H/q+1;/p-1


name: N-[2-(3,4-dimethoxyphenyl)-1-methylethyl]-4-ethoxy-3-methoxyphenylacetamide
cas: 93-31-2
dtxsid: DTXSID80918795
formula: C22H29NO5
inchikey: UGBCLZKPTMPXNS-UHFFFAOYSA-N
norman_susdat_id: NS00041121
pubchem_cid: 101558
smiles: O=C(NC(C)CC1=CC=C(OC)C(OC)=C1)CC2=CC=C(OCC)C(OC)=C2
inchi:
InChI=1/C22H29NO5/c1-6-28-19-10-8-17(13-21(19)27-5)14-22(24)23-15(2)11-16-7-9-18(25-3)20(12-16)26-4/h7-10,12-13,15H,6,11,14H2,1-5H3,(H,23,24)


name: N,N'-Di-2-naphthyl-p-phenylenediamine
cas: 93-46-9
chemspiderid: 6875
dtxsid: DTXSID3020918
formula: C26H20N2
inchikey: VETPHHXZEJAYOB-UHFFFAOYSA-N
norman_susdat_id: NS00021394
pubchem_cid: 7142
smiles: N(c1ccc(Nc2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1
inchi:
InChI=1S/C26H20N2/c1-3-7-21-17-25(11-9-19(21)5-1)27-23-13-15-24(16-14-23)28-26-12-10-20-6-2-4-8-22(20)18-26/h1-18,27-28H


name: (Z)-N-(2-aminoethyl)-N-(2-hydroxyethyl)-9-octadecenamide
cas: 93-81-2
dtxsid: DTXSID70883281
formula: C22H44N2O2
inchikey: ZCIHUYWGDQQFCS-KTKRTIGZSA-N
norman_susdat_id: NS00041283
pubchem_cid: 6913468
smiles: O=C(N(CCO)CCN)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24(19-18-23)20-21-25/h9-10,25H,2-8,11-21,23H2,1H3


name: N,N-Bis(2-hydroxyethyl)octadecanamide
cas: 93-82-3
chemspiderid: 6896
dtxsid: DTXSID4059091
formula: C22H45N1O3
inchikey: XGZOMURMPLSSKQ-UHFFFAOYSA-N
norman_susdat_id: NS00014103
pubchem_cid: 7163
smiles: CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO
inchi:
InChI=1S/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h24-25H,2-21H2,1H3


name: (9Z)-N,N-Bis(2-hydroxyethyl)octadec-9-enamide
cas: 93-83-4
chemspiderid: 4896948
dtxsid: DTXSID8026563
formula: C22H43N1O3
inchikey: LPMBTLLQQJBUOO-MDZDMXLPSA-N
norman_susdat_id: NS00010086
pubchem_cid: 6366408
smiles: CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO
inchi:
InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h9-10,24-25H,2-8,11-21H2,1H3/b10-9+


name: Diethyl terephthaloyldiacetetate
cas: 93-94-7
chemspiderid: 60107
dtxsid: DTXSID4059095
formula: C16H18O6
inchikey: OQMWAQGCEOMWNZ-UHFFFAOYSA-N
norman_susdat_id: NS00039787
pubchem_cid: 66741
smiles: CCOC(=O)CC(=O)c1ccc(cc1)C(=O)CC(=O)OCC
inchi:
InChI=1S/C16H18O6/c1-3-21-15(19)9-13(17)11-5-7-12(8-6-11)14(18)10-16(20)22-4-2/h5-8H,3-4,9-10H2,1-2H3


name: 3,6,9,12-Tetraoxapentacosan-1-ol
cas: 930-08-5
chemspiderid: 63436
dtxsid: DTXSID5048059
formula: C21H44O5
inchikey: XGJLRCKXPUPYKH-UHFFFAOYSA-N
norman_susdat_id: NS00039514
pubchem_cid: 70251
smiles: CCCCCCCCCCCCCOCCOCCOCCOCCO
inchi:
InChI=1S/C21H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-14-23-16-18-25-20-21-26-19-17-24-15-13-22/h22H,2-21H2,1H3


name: Docosanoic acid, zinc salt, basic
cas: 93028-34-3
formula: -
inchikey: FOYHCOXGLYJPQI-UHFFFAOYSA-M
norman_susdat_id: NS00092026
smiles: [Zn+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C22H44O2.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+2/p-1


name: Eicosanoic acid, zinc salt, basic
cas: 93028-35-4
formula: -
inchikey: YQNCEMDLDYKAOL-UHFFFAOYSA-M
norman_susdat_id: NS00092682
smiles: [Zn+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C20H40O2.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2-19H2,1H3,(H,21,22);/q;+2/p-1


name: Heptadecanoic acid, zinc salt, basic
cas: 93028-41-2
formula: -
inchikey: MPNXVMBZLDVEQG-UHFFFAOYSA-M
norman_susdat_id: NS00092027
smiles: [Zn+2].CCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C17H34O2.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2-16H2,1H3,(H,18,19);/q;+2/p-1


name: 2,2'-ethylenedianilinium tetrahydrogen diphosphate
cas: 93045-02-4
formula: C14H16N2.2H3O4P
inchikey: SASQHISHEAYYRY-UHFFFAOYSA-J
norman_susdat_id: NS00092057
smiles: [NH3+]c1ccccc1CCc2ccccc2[NH3+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C14H16N2.2H3O4P/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16;2*1-5(2,3)4/h1-8H,9-10,15-16H2;2*(H3,1,2,3,4)/p-4


name: Milbemycin oxime
cas: 93074-04-5
chemspiderid: 9881420
dtxsid: DTXSID4058495
formula: C32H45N1O7
inchikey: YCAZFHUABUMOIM-JUBNYKKYSA-N
norman_susdat_id: NS00018344
pubchem_cid: 11706697
smiles: CCC1C(CCC2(O1)CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5=NO)C)C(=O)O3)O)C)C)C
inchi:
InChI=1S/C32H45NO7/c1-6-27-21(4)12-13-31(40-27)17-25-16-24(39-31)11-10-20(3)14-19(2)8-7-9-23-18-37-29-28(33-36)22(5)15-26(30(34)38-25)32(23,29)35/h7-10,15,19,21,24-27,29,35-36H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9+,33-28-/t19-,21-,24+,25-,26-,27+,29+,31+,32+/m0/s1


name: Butan-2-yl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-D-alaninate
cas: 93080-42-3
dtxsid: DTXSID80896721
formula: C11H14F7NO3
inchikey: BJEXEPYIVRVXQT-PRJDIBJQSA-N
norman_susdat_id: NS00111848
smiles: CCC(C)OC(=O)[C@@H](C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H14F7NO3/c1-4-5(2)22-7(20)6(3)19-8(21)9(12,13)10(14,15)11(16,17)18/h5-6H,4H2,1-3H3,(H,19,21)/t5?,6-/m1/s1


name: Chlorocyclohexylmagnesium
cas: 931-51-1
formula: C6H11ClMg
inchikey: WMJMABVHDMRMJA-UHFFFAOYSA-M
norman_susdat_id: NS00079705
smiles: Cl[Mg]C1CCCCC1
inchi:
InChI=1/C6H11.ClH.Mg/c1-2-4-6-5-3-1;;/h1H,2-6H2;1H;/q;;+1/p-1/rC6H11ClMg/c7-8-6-4-2-1-3-5-6/h6H,1-5H2


name: 4-Chloro-N-[1-(2-phenylethyl)piperidin-2-ylidene]benzene-1-sulfonamide
cas: 93100-99-3
chemspiderid: 10544257
dtxsid: DTXSID20855776
formula: C19H21Cl1N2O2S1
inchikey: VJHXSSVOCOBVMI-VZCXRCSSSA-N
norman_susdat_id: NS00017214
pubchem_cid: 71463939
smiles: C1CCN(C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)C1)CCC3=CC=CC=C3
inchi:
InChI=1S/C19H21ClN2O2S/c20-17-9-11-18(12-10-17)25(23,24)21-19-8-4-5-14-22(19)15-13-16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8,13-15H2/b21-19-


name: 4-Chloro-N-{1-[2-(4-nitrophenyl)ethyl]piperidin-2-ylidene}benzene-1-sulfonamide
cas: 93101-02-1
chemspiderid: 10544260
dtxsid: DTXSID90726944
formula: C19H20Cl1N3O4S1
inchikey: BKRSVROQVRTSND-XUTLUUPISA-N
norman_susdat_id: NS00017212
pubchem_cid: 13373555
smiles: Clc1ccc(cc1)S(=O)(=O)/N=C/1CCCCN1CCc1ccc(cc1)N(=O)=O
inchi:
InChI=1S/C19H20ClN3O4S/c20-16-6-10-18(11-7-16)28(26,27)21-19-3-1-2-13-22(19)14-12-15-4-8-17(9-5-15)23(24)25/h4-11H,1-3,12-14H2/b21-19+


name: Enrofloxacin
cas: 93106-60-6
chebiid: CHEBI:35720
chemspiderid: 64326
dtxsid: DTXSID1045619
formula: C19H22F1N3O3
inchikey: SPFYMRJSYKOXGV-UHFFFAOYSA-N
norman_susdat_id: NS00010889
pubchem_cid: 6957639
smiles: CCN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1)C(O)=O
inchi:
InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)


cas: 93128-61-1
dtxsid: DTXSID60896724
formula: C15H15F13NNaO5S
inchikey: KAGYVYRKNMERGZ-JWOPXBRZSA-M
norman_susdat_id: NS00111154
smiles: [Na+].OC(CN[C@@H](CC(O)=O)C([O-])=O)CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
name:
Sodium (2S)-3-carboxy-2-({2-hydroxy-3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]propyl}amino)propanoate

inchi:
InChI=1S/C15H16F13NO5S.Na/c16-10(17,1-2-35-5-6(30)4-29-7(9(33)34)3-8(31)32)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28;/h6-7,29-30H,1-5H2,(H,31,32)(H,33,34);/q;+1/p-1/t6?,7-;/m0./s1


cas: 93128-66-6
dtxsid: DTXSID70896119
formula: C16H16F17NO3S
inchikey: UAOPHMUQOMFCMQ-UHFFFAOYSA-N
norman_susdat_id: NS00111456
smiles: CN(CC(O)CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(O)=O
name:
N-{3-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)sulfanyl]-2-hydroxypropyl}-N-methylglycine

inchi:
InChI=1/C16H16F17NO3S/c1-34(5-8(36)37)4-7(35)6-38-3-2-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7,35H,2-6H2,1H3,(H,36,37)


cas: 931395-42-5
formula: C25H47N9O5
inchikey: ZUJBBVJXXYRPFS-DYKIIFRCSA-N
norman_susdat_id: NS00073605
pubchem_cid: 71722017
smiles: CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)C(C)C
name:
2-{2-amino-5-[(diaminomethylidene)amino]pentanamido}-n-(1-{2-[(1-carbamoylethyl)carbamoyl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl)-3-methylpentanamide

inchi:
InChI=1S/C25H47N9O5/c1-6-14(4)19(33-21(36)16(26)9-7-11-30-25(28)29)23(38)32-18(13(2)3)24(39)34-12-8-10-17(34)22(37)31-15(5)20(27)35/h13-19H,6-12,26H2,1-5H3,(H2,27,35)(H,31,37)(H,32,38)(H,33,36)(H4,28,29,30)/t14-,15-,16-,17-,18-,19-/m0/s1


name: 5-[3-(3-hydroxyphenoxy)azetidin-1-yl]-5-methyl-2,2-diphenylhexanamide
cas: 931409-24-4
formula: C28H32N2O3
inchikey: WGOJWDWKHJHXSV-UHFFFAOYSA-N
norman_susdat_id: NS00072139
pubchem_cid: 16065403
smiles: CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1
inchi:
InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32)


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoroheptadecane
cas: 931415-52-0
dtxsid: DTXSID70895263
formula: C17H19F17
inchikey: SHQQMHMRNKRZAY-UHFFFAOYSA-N
norman_susdat_id: NS00111386
smiles: CCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C17H19F17/c1-2-3-4-5-6-7-8-9-10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h2-9H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorononadecane
cas: 931415-53-1
dtxsid: DTXSID70895309
formula: C19H23F17
inchikey: VIPKARMAJZVVDC-UHFFFAOYSA-N
norman_susdat_id: NS00111391
smiles: CCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C19H23F17/c1-2-3-4-5-6-7-8-9-10-11-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h2-11H2,1H3


name: 3-[[2-(2-Hydroxyethoxy)ethyl]imino]-2,2-dimethylpropyl dodecanoate
cas: 931419-77-1
chemspiderid: 29271910
dtxsid: DTXSID60893793
formula: C21H41N1O4
inchikey: OIOXSPCSRJPJNN-UHFFFAOYSA-N
norman_susdat_id: NS00001793
pubchem_cid: 89999478
smiles: CCCCCCCCCCCC(=O)OCC(C)(C)C=NCCOCCO
inchi:
InChI=1S/C21H41NO4/c1-4-5-6-7-8-9-10-11-12-13-20(24)26-19-21(2,3)18-22-14-16-25-17-15-23/h18,23H,4-17,19H2,1-3H3


name: N,N'-bis(2-ethoxyethyl)-p-xylene-a,a'-diamine
cas: 93144-07-1
dtxsid: DTXSID60918657
formula: C16H28N2O2
inchikey: PXNFRRGZKFZDOU-UHFFFAOYSA-N
norman_susdat_id: NS00063296
pubchem_cid: 44146292
smiles: O(CC)CCNCC1=CC=C(C=C1)CNCCOCC
inchi:
InChI=1/C16H28N2O2/c1-3-19-11-9-17-13-15-5-7-16(8-6-15)14-18-10-12-20-4-2/h5-8,17-18H,3-4,9-14H2,1-2H3


name: Amines, C20-22-alkyldimethyl
cas: 93164-85-3
chemspiderid: NA
formula: C42H87N1
inchikey: JJGYGGVGFAPHEH-UHFFFAOYSA-N
norman_susdat_id: NS00009728
pubchem_cid: 53442875
smiles: CCCCCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C42H87N/c1-4-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-40-42-43(3)41-39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-5-2/h4-42H2,1-3H3


name: 1-Tridecanol, phosphate, cobalt(2+) salt
cas: 93165-90-3
formula: -
inchikey: UDGAQZUKJSHOJM-UHFFFAOYSA-L
norman_susdat_id: NS00092352
smiles: [Co+2].CCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C13H29O4P.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;/h2-13H2,1H3,(H2,14,15,16);/q;+2/p-2


name: Bromo-o-tolylmagnesium
cas: 932-31-0
formula: C7H7BrMg
inchikey: DVXDIGKNJYSMFM-UHFFFAOYSA-M
norman_susdat_id: NS00079440
smiles: Cc1ccccc1[Mg]Br
inchi:
InChI=1/C7H7.BrH.Mg/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q;;+1/p-1/rC7H7BrMg/c1-6-4-2-3-5-7(6)9-8/h2-5H,1H3


name: Betaxolol
cas: 93221-48-8
chebiid: CHEBI:59254
chemspiderid: 54669
dtxsid: DTXSID30239341
formula: C18H29NO3
inchikey: NWIUTZDMDHAVTP-KRWDZBQOSA-N
norman_susdat_id: NS00098733
pubchem_cid: 60657
smiles: CC(C)NC[C@@H](COc1ccc(cc1)CCOCC2CC2)O
inchi:
InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1


name: Ixerin F
cas: 93236-46-5
chemspiderid: 21636023
formula: C21H30O9
inchikey: GHVUDSYPMZZROW-NOYJVBPASA-N
norman_susdat_id: NS00094059
pubchem_cid: 10270253
smiles:
C[C@H]1[C@@H]2C[C@H](C(=C)[C@@H]3C[C@@H](C(=C)[C@@H]3[C@H]2OC1=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O


name: 1-Isocyanato-4-(nonadecafluorononyl)benzene
cas: 93238-00-7
dtxsid: DTXSID60599940
formula: C16H4F19NO
inchikey: SCYPOZNDUGMAJH-UHFFFAOYSA-N
norman_susdat_id: NS00110902
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC=C(C=C1)N=C=O
inchi:
InChI=1S/C16H4F19NO/c17-8(18,6-1-3-7(4-2-6)36-5-37)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)35/h1-4H


name: 4-(Nonadecafluorononyl)benzoyl azide
cas: 93238-01-8
dtxsid: DTXSID40758533
formula: C16H4F19N3O
inchikey: UPIFAZUWDVJBEO-UHFFFAOYSA-N
norman_susdat_id: NS00110243
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC=C(C=C1)C(=O)N=[N+]=[N-]
inchi:
InChI=1S/C16H4F19N3O/c17-8(18,6-3-1-5(2-4-6)7(39)37-38-36)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)35/h1-4H


name: Ropidoxuridine
cas: 93265-81-7
dtxsid: DTXSID00239353
formula: C9H11IN2O4
inchikey: XIJXHOVKJAXCGJ-XLPZGREQSA-N
norman_susdat_id: NS00070171
smiles: O=c1ncc(I)cn1[C@H]1C[C@H](O)[C@@H](CO)O1
inchi:
InChI=1S/C9H11IN2O4/c10-5-2-11-9(15)12(3-5)8-1-6(14)7(4-13)16-8/h2-3,6-8,13-14H,1,4H2/t6-,7+,8+/m0/s1


name: 1-(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-oxononyl)-2,5-pyrrolidinedione
cas: 932710-51-5
chemspiderid: 17340504
dtxsid: DTXSID30881369
formula: C13H8F13N1O3
inchikey: HHEVANWCCJRBAP-UHFFFAOYSA-N
norman_susdat_id: NS00019310
pubchem_cid: NA
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(=O)N1C(=O)CCC1=O
inchi:
InChI=1S/C13H8F13NO3/c14-8(15,4-3-7(30)27-5(28)1-2-6(27)29)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1-4H2


name: [2,7-Bis((perfluorohexyl)ethyl)-9H-fluoren-9-yl]methyl carbonochloridate
cas: 932710-57-1
chemspiderid: 17345681
dtxsid: DTXSID60584836
formula: C31H17Cl1F26O2
inchikey: ZJELYAAWYLRRJI-UHFFFAOYSA-N
norman_susdat_id: NS00019311
pubchem_cid: 16218245
inchi:
InChI=1S/C31H17ClF26O2/c32-19(59)60-11-18-16-9-12(5-7-20(33,34)22(37,38)24(41,42)26(45,46)28(49,50)30(53,54)55)1-3-14(16)15-4-2-13(10-17(15)18)6-8-21(35,36)23(39,40)25(43,44)27(47,48)29(51,52)31(56,57)58/h1-4,9-10,18H,5-8,11H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC1=CC2=C(C=C1)C1=C(C=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1)C2COC(Cl)=O


cas: 932742-30-8
inchikey: PLCJQVXNAMXZGB-UHFFFAOYSA-N
norman_susdat_id: NS00077586
smiles: CCCCCCCCCCCC(=O)OCC(C)(C)C=NCC1(C)CC(CC(C)(C)C1)N=CC(C)(C)COC(=O)CCCCCCCCCCC
name:
3-((5-(3-(Dodecanoyloxy)-2,2-dimethylpropylideneamino)-1,3,3-trimethylcyclohexyl)methylimino)-2,2-dimethylpropyl dodecanoate


name: 2-Acetyl-10-propionyl-10H-phenothiazine
cas: 93316-16-6
chemspiderid: 2288704
dtxsid: DTXSID30239381
formula: C17H15N1O2S1
inchikey: XMNZNKBUXUDDDY-UHFFFAOYSA-N
norman_susdat_id: NS00039548
pubchem_cid: 3022128
smiles: CCC(=O)N1c2ccccc2Sc2ccc(cc12)C(=O)C
inchi:
InChI=1S/C17H15NO2S/c1-3-17(20)18-13-6-4-5-7-15(13)21-16-9-8-12(11(2)19)10-14(16)18/h4-10H,3H2,1-2H3


name: 10-(Ethenesulfonyl)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
cas: 93345-48-3
dtxsid: DTXSID90895947
formula: C12H7F17O2S
inchikey: RGCCJICFTWQWSZ-UHFFFAOYSA-N
norman_susdat_id: NS00112125
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)C=C
inchi:
InChI=1S/C12H7F17O2S/c1-2-32(30,31)4-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H,1,3-4H2


name: Cay10561
cas: 933786-58-4
formula: C22H17Cl2FN4O2
inchikey: YMUYGRBBEDYUOP-HXUWFJFHSA-N
norman_susdat_id: NS00071637
smiles: O=C(N[C@H](CO)c1ccc(F)c(Cl)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1
inchi:
InChI=1S/C22H17Cl2FN4O2/c23-15-3-1-2-12(6-15)16-10-27-29-21(16)14-8-19(26-9-14)22(31)28-20(11-30)13-4-5-18(25)17(24)7-13/h1-10,20,26,30H,11H2,(H,27,29)(H,28,31)/t20-/m1/s1


name: 1-(2,6-bis(4-tolyl)-1,3-dioxano(5,4-d)-1,3-dioxan-4-yl)ethane-1,2-diol
cas: 93379-37-4
dtxsid: DTXSID10860672
formula: C22H26O6
inchikey: LQAFKEDMOAMGAK-UHFFFAOYSA-N
norman_susdat_id: NS00077633
pubchem_cid: 9821547
smiles: C1(=CC=C(C=C1)C1OC(C2C(O1)COC(O2)C2=CC=C(C=C2)C)C(CO)O)C
inchi:
InChI=1S/C22H26O6/c1-13-3-7-15(8-4-13)21-25-12-18-20(28-21)19(17(24)11-23)27-22(26-18)16-9-5-14(2)6-10-16/h3-10,17-24H,11-12H2,1-2H3


name: FOSPHENYTOIN SODIUM
cas: 93390-81-9
chebiid: CHEBI:5165
chemspiderid: 50839
formula: C16H15N2O6P1
inchikey: XWLUWCNOOVRFPX-UHFFFAOYSA-N
norman_susdat_id: NS00014335
pubchem_cid: 56339
smiles: [Na+].[Na+].[O-][P]([O-])(=O)OCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3
inchi:
InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)/p-2


name: 8-(2-Chloroethanesulfonyl)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
cas: 93393-77-2
dtxsid: DTXSID80895936
formula: C10H8ClF13O2S
inchikey: REEZRLCBIOJNCB-UHFFFAOYSA-N
norman_susdat_id: NS00111770
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)CCCl
inchi:
InChI=1S/C10H8ClF13O2S/c11-2-4-27(25,26)3-1-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)24/h1-4H2


name: Chamaechromone
cas: 93413-00-4
chemspiderid: 10284961
dtxsid: DTXSID40904235
formula: C30H22O10
inchikey: KLKLIUIRQAMTAJ-UHFFFAOYSA-N
norman_susdat_id: NS00067916
pubchem_cid: 12084958
inchi:
InChI=1S/C30H22O10/c31-16-5-1-14(2-6-16)25(15-3-7-17(32)8-4-15)26(30(39)27-21(35)9-18(33)10-22(27)36)20-13-40-24-12-19(34)11-23(37)28(24)29(20)38/h1-13,25-26,31-37H


name: O-Desmethyl Venlafaxine
cas: 93413-62-8
chebiid: CHEBI:83527
chemspiderid: 111300
dtxsid: DTXSID40869118
formula: C16H25N1O2
inchikey: KYYIDSXMWOZKMP-UHFFFAOYSA-N
norman_susdat_id: NS00000330
pubchem_cid: 125017
smiles: CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O
eea_notation: CAS_93413-62-8
inchi:
InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3


name: Venlafaxine
cas: 93413-69-5
chebiid: CHEBI:9943
chemspiderid: 5454
dtxsid: DTXSID6023737
formula: C17H27N1O2
inchikey: PNVNVHUZROJLTJ-UHFFFAOYSA-N
norman_susdat_id: NS00000031
pubchem_cid: 5656
smiles: CN(C)CC(c1ccc(cc1)OC)C2(CCCCC2)O
eea_notation: CAS_93413-69-5
inchi:
InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3


name: N,N-Didesvenlafaxine
cas: 93413-77-5
chebiid: CHEBI:83446
chemspiderid: 7971623
dtxsid: DTXSID50891440
formula: C15H23N1O2
inchikey: SUQHIQRIIBKNOR-UHFFFAOYSA-N
norman_susdat_id: NS00000348
pubchem_cid: 9795857
smiles: OC2(C(c1ccc(OC)cc1)CN)CCCCC2
inchi:
InChI=1S/C15H23NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-11,16H2,1H3


name: 6-Methyl-2-(undecafluoropentyl)-1,3-benzoxazole
cas: 93416-26-3
dtxsid: DTXSID20758652
formula: C13H6F11NO
inchikey: HXWIYJXMXCMXIC-UHFFFAOYSA-N
norman_susdat_id: NS00109556
smiles: CC1=CC2=C(C=C1)N=C(O2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H6F11NO/c1-5-2-3-6-7(4-5)26-8(25-6)9(14,15)10(16,17)11(18,19)12(20,21)13(22,23)24/h2-4H,1H3


cas: 93416-31-0
dtxsid: DTXSID80896281
formula: C17H14F13NO4S
inchikey: FHVSJLCABUCZMI-UHFFFAOYSA-N
norman_susdat_id: NS00111805
smiles: COc1ccc(cc1)C1CN(C)OC1S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
name:
4-(4-Methoxyphenyl)-2-methyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl)-1,2-oxazolidine

inchi:
InChI=1/C17H14F13NO4S/c1-31-7-10(8-3-5-9(34-2)6-4-8)11(35-31)36(32,33)17(29,30)15(24,25)13(20,21)12(18,19)14(22,23)16(26,27)28/h3-6,10-11H,7H2,1-2H3


name: 1,4-bis(Perfluorooctyl) fumarate
cas: 934166-50-4
dtxsid: DTXSID50897043
formula: C20H2F34O4
inchikey: OGBKVDKHMNTXID-OWOJBTEDSA-N
norman_susdat_id: NS00110831
inchi:
InChI=1S/C20H2F34O4/c21-5(22,9(29,30)13(37,38)17(45,46)47)7(25,26)11(33,34)15(41,42)19(51,52)57-3(55)1-2-4(56)58-20(53,54)16(43,44)12(35,36)8(27,28)6(23,24)10(31,32)14(39,40)18(48,49)50/h1-2H/b2-1+

smiles:
[H]C(=C([H])C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Gsk2
cas: 934240-30-9
formula: C18H19FN2O2
inchikey: JESCETIFNOFKEU-SJORKVTESA-N
norman_susdat_id: NS00072123
smiles: NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1
inchi:
InChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/t16-,17+/m1/s1


name: Conotoxin GV
cas: 93438-65-4
dtxsid: DTXSID10896916
formula: C88H138N26O44
inchikey: HTBKFGWATIYCSF-UHFFFAOYSA-N
norman_susdat_id: NS00075388
inchi:
InChI=1/C88H138N26O44/c1-7-34(6)61(77(138)103-41(12-10-20-98-88(96)97)63(124)107-48(23-35(78(139)140)79(141)142)69(130)100-40(11-8-9-19-89)64(125)113-54(31-115)76(137)104-45(62(95)123)28-57(93)118)114-75(136)47(22-33(4)5)106-70(131)49(24-36(80(143)144)81(145)146)109-67(128)44(14-17-56(92)117)102-74(135)53(29-58(94)119)112-73(134)51(26-38(84(151)152)85(153)154)110-66(127)43(13-16-55(91)116)101-68(129)46(21-32(2)3)105-71(132)52(27-39(86(155)156)87(157)158)111-72(133)50(25-37(82(147)148)83(149)150)108-65(126)42(15-18-60(121)122)99-59(120)30-90/h32-54,61,115H,7-31,89-90H2,1-6H3,(H2,91,116)(H2,92,117)(H2,93,118)(H2,94,119)(H2,95,123)(H,99,120)(H,100,130)(H,101,129)(H,102,135)(H,103,138)(H,104,137)(H,105,132)(H,106,131)(H,107,124)(H,108,126)(H,109,128)(H,110,127)(H,111,133)(H,112,134)(H,113,125)(H,114,136)(H,121,122)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H4,96,97,98)

smiles:
[H]OCC(N([H])C(=O)C(CCCCN([H])[H])N([H])C(=O)C(CC(C(=O)O[H])C(=O)O[H])N([H])C(=O)C(CCCN([H])C(=N[H])N([H])[H])N([H])C(=O)C(N([H])C(=O)C(CC(C)C)N([H])C(=O)C(CC(C(=O)O[H])C(=O)O[H])N([H])C(=O)C(CCC(=O)N([H])[H])N([H])C(=O)C(CC(=O)N([H])[H])N([H])C(=O)C(CC(C(=O)O[H])C(=O)O[H])N([H])C(=O)C(CCC(=O)N([H])[H])N([H])C(=O)C(CC(C)C)N([H])C(=O)C(CC(C(=O)O[H])C(=O)O[H])N([H])C(=O)C(CC(C(=O)O[H])C(=O)O[H])N([H])C(=O)C(CCC(=O)O[H])N([H])C(=O)CN([H])[H])C(C)CC)C(=O)N([H])C(CC(=O)N([H])[H])C(=O)N([H])[H]


name: 2-amino-8-ethyl-4-methyl-6-(1h-pyrazol-5-yl)-7h,8h-pyrido[2,3-d]pyrimidin-7-one
cas: 934493-76-2
chebiid: CHEBI:124914
formula: C13H14N6O
inchikey: RGHYDLZMTYDBDT-UHFFFAOYSA-N
norman_susdat_id: NS00072150
pubchem_cid: 16123056
smiles: CCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(N)nc21
inchi:
InChI=1S/C13H14N6O/c1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10/h4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17)


cas: 934526-89-3
formula: C25H25ClN6O4S
inchikey: QINPEPAQOBZPOF-UHFFFAOYSA-N
norman_susdat_id: NS00073304
pubchem_cid: 56599306
smiles: COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1
name:
2-amino-n-[3-({3-[(2-chloro-5-methoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]-2-methylpropanamide

inchi:
InChI=1S/C25H25ClN6O4S/c1-25(2,27)24(33)28-15-7-6-8-17(13-15)37(34,35)32-23-22(29-19-9-4-5-10-20(19)30-23)31-21-14-16(36-3)11-12-18(21)26/h4-14H,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluoro-14-iodoicosane
cas: 93454-69-4
dtxsid: DTXSID30895446
formula: C20H16F25I
inchikey: KXNZHYYOSMZKIM-UHFFFAOYSA-N
norman_susdat_id: NS00110032
smiles: CCCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C20H16F25I/c1-2-3-4-5-6-8(46)7-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h8H,2-7H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluorooctadecane
cas: 93454-70-7
dtxsid: DTXSID80895310
formula: C18H17F21
inchikey: QHWFBGRTHMNLGS-UHFFFAOYSA-N
norman_susdat_id: NS00111723
smiles: CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C18H17F21/c1-2-3-4-5-6-7-8-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h2-8H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluorodocosane
cas: 93454-71-8
dtxsid: DTXSID80895355
formula: C22H25F21
inchikey: ABPWIOPUGZHCSE-UHFFFAOYSA-N
norman_susdat_id: NS00111728
smiles: CCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C22H25F21/c1-2-3-4-5-6-7-8-9-10-11-12-13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)19(35,36)20(37,38)21(39,40)22(41,42)43/h2-12H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorodocosane
cas: 93454-72-9
dtxsid: DTXSID70895384
formula: C22H21F25
inchikey: YRBYBKZFEDWCDZ-UHFFFAOYSA-N
norman_susdat_id: NS00111398
smiles: CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C22H21F25/c1-2-3-4-5-6-7-8-9-10-11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)19(39,40)20(41,42)21(43,44)22(45,46)47/h2-10H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorohexacosane
cas: 93454-73-0
dtxsid: DTXSID40895432
formula: C26H29F25
inchikey: OUASUHCMZXPMCH-UHFFFAOYSA-N
norman_susdat_id: NS00110367
smiles: CCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C26H29F25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(27,28)16(29,30)17(31,32)18(33,34)19(35,36)20(37,38)21(39,40)22(41,42)23(43,44)24(45,46)25(47,48)26(49,50)51/h2-14H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorooctacosane
cas: 93454-74-1
dtxsid: DTXSID00895433
formula: C28H33F25
inchikey: CZCMNCOQMXNFTL-UHFFFAOYSA-N
norman_susdat_id: NS00108972
inchi:
InChI=1S/C28H33F25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(29,30)18(31,32)19(33,34)20(35,36)21(37,38)22(39,40)23(41,42)24(43,44)25(45,46)26(47,48)27(49,50)28(51,52)53/h2-16H2,1H3

smiles:
CCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorotriacontane
cas: 93454-75-2
dtxsid: DTXSID60895454
formula: C30H37F25
inchikey: ZQTOGMUPCQLFRE-UHFFFAOYSA-N
norman_susdat_id: NS00111044
inchi:
InChI=1S/C30H37F25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(31,32)20(33,34)21(35,36)22(37,38)23(39,40)24(41,42)25(43,44)26(45,46)27(47,48)28(49,50)29(51,52)30(53,54)55/h2-18H2,1H3

smiles:
CCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 934541-31-8
dtxsid: DTXSID70583097
formula: C28H32N4O3S
inchikey: WKDACQVEJIVHMZ-UHFFFAOYSA-N
norman_susdat_id: NS00072151
pubchem_cid: 16124208
smiles: CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1
name:
5-[3-(Ethanesulfonyl)phenyl]-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide

inchi:
InChI=1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33)


name: Medica 16
cas: 93456-85-0
chebiid: CHEBI:149582
dtxsid: DTXSID00236246
formula: C20H38O4
inchikey: HYSMCRNFENOHJH-UHFFFAOYSA-N
norman_susdat_id: NS00096624
smiles: CC(C)(CCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O
inchi:
InChI=1S/C20H38O4/c1-19(2,15-17(21)22)13-11-9-7-5-6-8-10-12-14-20(3,4)16-18(23)24/h5-16H2,1-4H3,(H,21,22)(H,23,24)


name: CG 400549
cas: 934628-27-0
dtxsid: DTXSID00239434
formula: C19H20N2O2S
inchikey: YCLREGRRHGLOAK-UHFFFAOYSA-N
norman_susdat_id: NS00071547
pubchem_cid: 11844916
smiles: Cc1c(N)cccc1Cn1ccc(OCCc2cccs2)cc1=O
inchi:
InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3


name: Ethyl 15-hydroxy-9-oxoprosta-10,13-dien-1-oate
cas: 93464-24-5
chebiid: CHEBI:167822
chemspiderid: 21466916
dtxsid: DTXSID40693995
formula: C22H36O4
inchikey: STQVEMJKKQYNQQ-LTGPBHORSA-N
norman_susdat_id: NS00016934
pubchem_cid: 12149511
smiles: CCCCCC(O)/C=C/[C@H]1C=CC(=O)C1CCCCCCC(=O)OCC
inchi:
1S/C22H36O4/c1-3-5-8-11-19(23)16-14-18-15-17-21(24)20(18)12-9-6-7-10-13-22(25)26-4-2/h14-20,23H,3-13H2,1-2H3/b16-14+/t18-,19-,20+/m0/s1


name: Cobimetinib
cas: 934660-93-2
chebiid: CHEBI:90851
dtxsid: DTXSID60239435
formula: C21H21F3IN3O2
inchikey: BSMCAPRUBJMWDF-KRWDZBQOSA-N
norman_susdat_id: NS00072860
pubchem_cid: 16222096
smiles: O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1
inchi:
InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1


name: [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-(3-hydroxy-3-piperidin-2-ylazetidin-1-yl)methanone
cas: 934662-91-6
dtxsid: DTXSID60679599
formula: C21H21F3IN3O2
inchikey: BSMCAPRUBJMWDF-UHFFFAOYSA-N
norman_susdat_id: NS00097731
smiles: C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O
inchi:
InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2


name: Glimepiride
cas: 93479-97-1
chebiid: CHEBI:92609
chemspiderid: 3357
dtxsid: DTXSID5040675
formula: C24H34N4O5S1
inchikey: WIGIZIANZCJQQY-UHFFFAOYSA-N
norman_susdat_id: NS00004860
pubchem_cid: 3476
smiles: CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O
inchi:
InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)


cas: 93480-00-3
formula: C10H6F15NO2
norman_susdat_id: NS00101733
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-oxooctyl)amino]ethyl]-.omega.-hydroxy-


cas: 934841-33-5
chemspiderid: 23353684
formula: C30H49N1O8
inchikey: LNEJMHYXEHINSY-KAXXXCGQSA-N
norman_susdat_id: NS00002570
pubchem_cid: NA
smiles: COCCCOc1cc(ccc1OC)[C@@H](O)[C@@H](C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@@H](C(C)C)C(=O)O1)C(C)C
name:
tert-butyl {(1S,3S)-3-{(S)- hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2S,4S)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl ]pentyl}carbamate

inchi:
InChI=1S/C30H49NO8/c1-18(2)21(27(32)20-11-12-24(36-9)26(15-20)37-14-10-13-35-8)16-23(31-29(34)39-30(5,6)7)25-17-22(19(3)4)28(33)38-25/h11-12,15,18-19,21-23,25,27,32H,10,13-14,16-17H2,1-9H3,(H,31,34)/t21-,22-,23-,25-,27+/m0/s1


name: 2-[(Heptadecafluorooctyl)(methyl)amino]ethyl prop-2-enoate
cas: 93491-54-4
dtxsid: DTXSID20758692
formula: C14H10F17NO2
inchikey: ZEVGQZNTYAKDNY-UHFFFAOYSA-N
norman_susdat_id: NS00109557
smiles: CN(CCOC(=O)C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H10F17NO2/c1-3-6(33)34-5-4-32(2)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h3H,1,4-5H2,2H3


name: 2-Iodomelatonin
cas: 93515-00-5
chebiid: CHEBI:109558
dtxsid: DTXSID30239462
formula: C13H15IN2O2
inchikey: FJDDSMSDZHURBJ-UHFFFAOYSA-N
norman_susdat_id: NS00069022
pubchem_cid: 115348
smiles: COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
inchi:
InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)


name: AZD-1480
cas: 935666-88-9
dtxsid: DTXSID50239469
formula: C14H14ClFN8
inchikey: PDOQBOJDRPLBQU-QMMMGPOBSA-N
norman_susdat_id: NS00072791
pubchem_cid: 16659841
smiles: Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1
inchi:
InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1


name: Jnj 37822681 dihydrochloride
cas: 935776-74-2
formula: C17H17F5N4
inchikey: UVUYWJWYRLJHEN-UHFFFAOYSA-N
norman_susdat_id: NS00072136
pubchem_cid: 16058752
smiles: Fc1ccc(CN2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)cc1F
inchi:
InChI=1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)


name: OSU-HDAC42
cas: 935881-37-1
dtxsid: DTXSID4042678
formula: C18H20N2O3
inchikey: LAMIXXKAWNLXOC-INIZCTEOSA-N
norman_susdat_id: NS00070966
pubchem_cid: 6918848
smiles: CC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1
inchi:
InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1


name: Oprozomib
cas: 935888-69-0
formula: C25H32N4O7S
inchikey: SWZXEVABPLUDIO-WSZYKNRRSA-N
norman_susdat_id: NS00072552
pubchem_cid: 25067547
smiles: COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
inchi:
InChI=1S/C25H32N4O7S/c1-15-26-11-20(37-15)24(33)29-19(13-35-4)23(32)28-18(12-34-3)22(31)27-17(21(30)25(2)14-36-25)10-16-8-6-5-7-9-16/h5-9,11,17-19H,10,12-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t17-,18-,19-,25+/m0/s1


name: Phenol, 4,4'-[methylenebis(oxy-2,1-ethanediylthio)]bis-
cas: 93589-69-6
chemspiderid: 2343013
dtxsid: DTXSID7072961
formula: C17H20O4S2
inchikey: QBZPUSKHVURBGP-UHFFFAOYSA-N
norman_susdat_id: NS00009737
pubchem_cid: 3086375
smiles: Oc1ccc(SCCOCOCCSc2ccc(O)cc2)cc1
inchi:
InChI=1S/C17H20O4S2/c18-14-1-5-16(6-2-14)22-11-9-20-13-21-10-12-23-17-7-3-15(19)4-8-17/h1-8,18-19H,9-13H2


name: 4-Acetoxy-DiPT
cas: 936015-60-0
chemspiderid: 21106240
dtxsid: DTXSID30239482
formula: C18H26N2O2
inchikey: ZPAOVGZYDSXCPK-UHFFFAOYSA-N
norman_susdat_id: NS00017735
pubchem_cid: 24801868
smiles: CC(C)N(CCC1=CNC2=C1C(=CC=C2)OC(=O)C)C(C)C
inchi:
InChI=1S/C18H26N2O2/c1-12(2)20(13(3)4)10-9-15-11-19-16-7-6-8-17(18(15)16)22-14(5)21/h6-8,11-13,19H,9-10H2,1-5H3


name: Fedratinib
cas: 936091-26-8
chebiid: CHEBI:91408
dtxsid: DTXSID90239483
formula: C27H36N6O3S
inchikey: JOOXLOJCABQBSG-UHFFFAOYSA-N
norman_susdat_id: NS00071609
pubchem_cid: 16722836
smiles: Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
inchi:
InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)


name: Venlafaxine met 16 -452
cas: 936104-69-7
chemspiderid: NA
formula: C23H34Cl1N1O8
inchikey: OBBOVRMNMRCWFX-UHFFFAOYSA-N
norman_susdat_id: NS00000966
pubchem_cid: NA
smiles: OC1(C(c2ccc(OC)cc2)CN(C3C(C(C(C(O3)C(O)=O)=O)O)O)(C)(Cl)C)CCCCC1
inchi:
InChI=1S/C23H34ClNO8/c1-25(2,24,21-19(28)17(26)18(27)20(33-21)22(29)30)13-16(23(31)11-5-4-6-12-23)14-7-9-15(32-3)10-8-14/h7-10,16-17,19-21,26,28,31H,4-6,11-13H2,1-3H3,(H,29,30)


cas: 93611-23-5
dtxsid: DTXSID20882663
norman_susdat_id: NS00109605
name:
Copolymer of tetrafluoroethylene/hexafluoropropene/nonafluorobutyl trifluorovinyl ether (a number-average molecular weight is not less than 1,000 and the polymer is insoluble in water, lipid soluble solvent, usual solvent, acid and alkali)


name: Ceftolozane
cas: 936111-69-2
formula: C23H31N12O8S2
inchikey: JHFNIHVVXRKLEF-DCZLAGFPSA-O
norman_susdat_id: NS00070478
pubchem_cid: 49863420
smiles: Cn1c(N)c(NC(=O)NCCN)c[n+]1CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=NOC(C)(C)C(=O)O)c3nsc(N)n3)[C@H]2SC1
inchi:
InChI=1S/C23H30N12O8S2/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42)/p+1/b31-11-/t12-,18-/m1/s1


name: N-[3-(dimethylamino)propyl]-n'-hydroxy-2-[(naphthalen-1-yloxy)methyl]oct-2-enediamide
cas: 936221-33-9
formula: C24H33N3O4
inchikey: AUGCSOFQTDKPSO-RGVLZGJSSA-N
norman_susdat_id: NS00072146
pubchem_cid: 16117309
smiles: CN(C)CCCNC(=O)/C(=C/CCCCC(=O)NO)COc1cccc2ccccc12
inchi:
InChI=1S/C24H33N3O4/c1-27(2)17-9-16-25-24(29)20(11-4-3-5-15-23(28)26-30)18-31-22-14-8-12-19-10-6-7-13-21(19)22/h6-8,10-14,30H,3-5,9,15-18H2,1-2H3,(H,25,29)(H,26,28)/b20-11+


name: N,N'-(Propane-1,3-diyl)bis[2-(ethenesulfonyl)acetamide]
cas: 93629-90-4
chemspiderid: 11561842
dtxsid: DTXSID90546700
formula: C11H18N2O6S2
inchikey: BQRSKHITKXPIQX-UHFFFAOYSA-N
norman_susdat_id: NS00009679
pubchem_cid: 13684965
smiles: C=CS(=O)(=O)CC(=O)NCCCNC(=O)CS(=O)(=O)C=C
inchi:
InChI=1S/C11H18N2O6S2/c1-3-20(16,17)8-10(14)12-6-5-7-13-11(15)9-21(18,19)4-2/h3-4H,1-2,5-9H2,(H,12,14)(H,13,15)


cas: 936331-72-5
chebiid: CHEBI:145501
chemspiderid: 16738658
dtxsid: DTXSID60239495
formula: C11H12N4O7S2
inchikey: GLDAZAQRGCSFNP-UHFFFAOYSA-N
norman_susdat_id: NS00005783
pubchem_cid: 20056440
smiles: COc1nn(C(=O)NS(=O)(=O)c2c(C)scc2C(O)=O)c(=O)n1C
name:
4-((4,5-Dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonylsulfamoyl)-5-methylthiophene-3-carboxylic acid

inchi:
InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)


cas: 93644-65-6
dtxsid: DTXSID20896644
formula: C7H4F15NO5S
inchikey: XZLCERRVJCHNSR-UHFFFAOYSA-N
norman_susdat_id: NS00109786
smiles: [NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)F
name:
Ammonium 1,1,2,2-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(pentafluoroethoxy)propan-2-yl]oxy}ethane-1-sulfonate

inchi:
InChI=1/C7HF15O5S.H3N/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)28(23,24)25;/h(H,23,24,25);1H3


name: Elinogrel
cas: 936501-01-8
dtxsid: DTXSID50918262
formula: C20H15ClFN5O5S2
inchikey: LGSDFTPAICUONK-UHFFFAOYSA-N
norman_susdat_id: NS00072515
pubchem_cid: 16066663
smiles: CNc1cc2nc(O)n(-c3ccc(N/C(O)=N/S(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F
inchi:
InChI=1S/C20H15ClFN5O5S2/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17/h2-9,23H,1H3,(H,25,30)(H2,24,26,29)


name: Ibrutinib
cas: 936563-87-0
chebiid: CHEBI:76612
dtxsid: DTXSID60893450
formula: C25H24N6O2
inchikey: XYFPWWZEPKGCCK-GOSISDBHSA-N
norman_susdat_id: NS00072153
pubchem_cid: 24821094
smiles: C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
inchi:
InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1


name: 5-[(2,4-dihydroxyphenyl)azo]naphthalene-1-sulphonic acid
cas: 93658-86-7
formula: C16H12N2O5S
inchikey: DRNZDUCLSSXXHX-UHFFFAOYSA-N
norman_susdat_id: NS00062736
pubchem_cid: 3022160
smiles: O=S(=O)(O)C=1C=CC=C2C(N=NC3=CC=C(O)C=C3O)=CC=CC21
inchi:
InChI=1/C16H12N2O5S/c19-10-7-8-14(15(20)9-10)18-17-13-5-1-4-12-11(13)3-2-6-16(12)24(21,22)23/h1-9,19-20H,(H,21,22,23)


cas: 93658-87-8
formula: C20H16ClN9O10S3.xNa
inchikey: WJWZUFBGWSROIN-UHFFFAOYSA-M
norman_susdat_id: NS00091141
smiles: [Na+].Nc4nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)S([O-])(=O)=O)cc3)nc(Cl)n4
name:
7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic, acid sodium salt

inchi:
InChI=1/C20H16ClN9O10S3.Na/c21-17-26-18(22)28-20(27-17)24-9-1-2-12(13(5-9)25-19(23)31)29-30-14-7-11-8(4-16(14)43(38,39)40)3-10(41(32,33)34)6-15(11)42(35,36)37;/h1-7H,(H3,23,25,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H3,22,24,26,27,28);/q;+1/p-1


name: (Z)-N,N-bis(2-hydroxyethyl)docos-13-enamide
cas: 93661-75-7
formula: C26H51NO3
inchikey: VVZUSTMGQZYVLJ-KTKRTIGZSA-N
norman_susdat_id: NS00062737
pubchem_cid: 20836269
smiles: O=C(N(CCO)CCO)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C26H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)27(22-24-28)23-25-29/h9-10,28-29H,2-8,11-25H2,1H3


cas: 936694-12-1
formula: C31H27F2N5O3S2
inchikey: YRCHYHRCBXNYNU-UHFFFAOYSA-N
norman_susdat_id: NS00073349
pubchem_cid: 25181472
smiles: COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccc(F)cc5)cc4F)c3s2)nc1
name:
3-(3-fluoro-4-{[2-(5-{[(2-methoxyethyl)amino]methyl}pyridin-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-[2-(4-fluorophenyl)acetyl]thiourea

inchi:
InChI=1S/C31H27F2N5O3S2/c1-40-13-12-34-17-20-4-8-24(36-18-20)28-16-25-30(43-28)27(10-11-35-25)41-26-9-7-22(15-23(26)33)37-31(42)38-29(39)14-19-2-5-21(32)6-3-19/h2-11,15-16,18,34H,12-14,17H2,1H3,(H2,37,38,39,42)


name: Lumacaftor
cas: 936727-05-8
chebiid: CHEBI:90951
dtxsid: DTXSID30239523
formula: C24H18F2N2O5
inchikey: UFSKUSARDNFIRC-UHFFFAOYSA-N
norman_susdat_id: NS00067980
smiles: CC1=C(N=C(NC(=O)C2(CC2)C2=CC3=C(OC(F)(F)O3)C=C2)C=C1)C1=CC(=CC=C1)C(O)=O
inchi:
InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)


name: 10,11-Dimethoxy-4-methyldibenzo[c,f][2,7]naphthyridine-3,6-diamine
cas: 936833-38-4
dtxsid: DTXSID80590833
formula: C19H18N4O2
inchikey: NVINUNQBDNEMSY-UHFFFAOYSA-N
norman_susdat_id: NS00071227
pubchem_cid: 17754396
smiles: COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC
inchi:
InChI=1S/C19H18N4O2/c1-9-13(20)5-4-10-17-11-6-15(24-2)16(25-3)7-14(11)22-8-12(17)19(21)23-18(9)10/h4-8H,20H2,1-3H3,(H2,21,23)


name: 5-chloro-2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate
cas: 93686-61-4
formula: C23H25ClN3.C2H3O2
inchikey: FPHRRWFKFIRMTG-UHFFFAOYSA-M
norman_susdat_id: NS00091249
smiles: CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1.CC(=O)[O-]
inchi:
InChI=1/C23H25ClN3.C2H4O2/c1-23(2)20-16-18(24)9-12-21(20)27(4)22(23)13-8-17-6-10-19(11-7-17)26(3)15-5-14-25;1-2(3)4/h6-13,16H,5,15H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


name: 1,4-Diamino-3-(2-butyl-2H-tetrazol-5-yl)-9,10-dioxo-9,10-dihydroanthracene-2-carbonitrile
cas: 93686-63-6
chemspiderid: 57559337
dtxsid: DTXSID70697880
formula: C20H17N7O2
inchikey: ZQWOXBXZVXFUED-UHFFFAOYSA-N
norman_susdat_id: NS00009712
pubchem_cid: 53421793
smiles: CCCCn1nnc(n1)-c1c(N)c2C(=O)c3ccccc3C(=O)c2c(N)c1C#N
inchi:
InChI=1S/C20H17N7O2/c1-2-3-8-27-25-20(24-26-27)13-12(9-21)16(22)14-15(17(13)23)19(29)11-7-5-4-6-10(11)18(14)28/h4-7H,2-3,8,22-23H2,1H3


name: Sodium 6-acetamidonaphthalene-2-sulphonate
cas: 93689-94-2
formula: C12H11NO4S.Na
inchikey: VSOLYIGHKCMYQE-UHFFFAOYSA-M
norman_susdat_id: NS00091346
smiles: [Na+].CC(=O)Nc1ccc2cc(ccc2c1)S(=O)(=O)[O-]
inchi:
InChI=1/C12H11NO4S.Na/c1-8(14)13-11-4-2-10-7-12(18(15,16)17)5-3-9(10)6-11;/h2-7H,1H3,(H,13,14)(H,15,16,17);/q;+1/p-1


name: Pyrazosulfuron-ethyl
cas: 93697-74-6
chebiid: CHEBI:81752
chemspiderid: 82848
dtxsid: DTXSID9058496
formula: C14H18N6O7S1
inchikey: BGNQYGRXEXDAIQ-UHFFFAOYSA-N
norman_susdat_id: NS00001400
pubchem_cid: 91750
smiles: CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(O)=Nc1nc(OC)cc(OC)n1
inchi:
InChI=1S/C14H18N6O7S/c1-5-27-12(21)8-7-15-20(2)11(8)28(23,24)19-14(22)18-13-16-9(25-3)6-10(17-13)26-4/h6-7H,5H2,1-4H3,(H2,16,17,18,19,22)


name: Potassium bis(perfluorohexyl)difluoroborate
cas: 937038-66-9
dtxsid: DTXSID00897513
formula: C12BF28K
inchikey: VNYLKYHGXJNTML-UHFFFAOYSA-N
norman_susdat_id: NS00109102
inchi:
InChI=1S/C12BF28.K/c14-1(15,3(18,19)7(26,27)11(34,35)36)5(22,23)9(30,31)13(40,41)10(32,33)6(24,25)2(16,17)4(20,21)8(28,29)12(37,38)39;/q-1;+1

smiles:
[K+].F[B-](F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-Pentadecafluoro-3,6,9,12,15-pentaoxadocosan-1-ol
cas: 93704-25-7
dtxsid: DTXSID20895935
formula: C17H21F15O6
inchikey: KZKAFTRHTVZIGR-UHFFFAOYSA-N
norman_susdat_id: NS00109715
smiles: OCCOCCOCCOCCOCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C17H21F15O6/c18-11(19,12(20,21)14(24,25)16(28,29)30)13(22,23)15(26,27)17(31,32)38-10-9-37-8-7-36-6-5-35-4-3-34-2-1-33/h33H,1-10H2


cas: 93705-98-7
dtxsid: DTXSID00882924
norman_susdat_id: NS00108917
name:
2-Propenoic acid, 2-methyl-, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester, polymer with methyl 2-methyl-2-propenoate


name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-hydroxyundecyl 2-methylprop-2-enoate
cas: 93706-76-4
dtxsid: DTXSID20380871
formula: C15H11F17O3
inchikey: DCXZWVLJCYXHDV-UHFFFAOYSA-N
norman_susdat_id: NS00109514
smiles: CC(=C)C(=O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H11F17O3/c1-5(2)7(34)35-4-6(33)3-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h6,33H,1,3-4H2,2H3


name: GSK-690693
cas: 937174-76-0
chebiid: CHEBI:90677
dtxsid: DTXSID60239551
formula: C21H27N7O3
inchikey: KGPGFQWBCSZGEL-ZDUSSCGKSA-N
norman_susdat_id: NS00072069
pubchem_cid: 16725726
smiles: CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21
inchi:
InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1


cas: 937263-43-9
formula: C26H24N8O2
inchikey: SDEAXTCZPQIFQM-UHFFFAOYSA-N
norman_susdat_id: NS00072928
pubchem_cid: 51039094
smiles: Cc1cc(Nc2ncnc3ccc(/N=C4/NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1
name:
N6-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-n4-(3-methyl-4-{[1,2,4]triazolo[1,5-a]pyridin-7-yloxy}phenyl)quinazoline-4,6-diamine

inchi:
InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31)


name: Ro 17-6661
cas: 93739-45-8
chemspiderid: 4589123
dtxsid: DTXSID40239559
formula: C13H11N3O5S2
inchikey: VJMIVXXTLGMNIX-UHFFFAOYSA-N
norman_susdat_id: NS00040600
pubchem_cid: 54692969
smiles: CN1C(C(=O)Nc2ccc(O)cn2)=C(O)c2sccc2S1(=O)=O
inchi:
InChI=1S/C13H11N3O5S2/c1-16-10(13(19)15-9-3-2-7(17)6-14-9)11(18)12-8(4-5-22-12)23(16,20)21/h2-6,17-18H,1H3,(H,14,15,19)


name: N-(3-(Morpholino)propyl)naphthalen-2-amine
cas: 93762-06-2
chemspiderid: 2288764
dtxsid: DTXSID30239568
formula: C17H22N2O1
inchikey: ZINOQNYPQHETBN-UHFFFAOYSA-N
norman_susdat_id: NS00039587
pubchem_cid: 3022198
smiles: C(CNc1cc2ccccc2cc1)CN1CCOCC1
inchi:
InChI=1S/C17H22N2O/c1-2-5-16-14-17(7-6-15(16)4-1)18-8-3-9-19-10-12-20-13-11-19/h1-2,4-7,14,18H,3,8-13H2


name: N-(2-butoxyethyl)-4-[(2-chloro-4-nitrophenyl)azo]-N-ethylaniline
cas: 93762-07-3
formula: C20H26ClN4O3
inchikey: AYIHOZYLPZMNPR-UHFFFAOYSA-N
norman_susdat_id: NS00063852
pubchem_cid: 3022199
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CCOCCCC)C(Cl)=C1
inchi:
InChI=1/C20H25ClN4O3/c1-3-5-13-28-14-12-24(4-2)17-8-6-16(7-9-17)22-23-20-11-10-18(25(26)27)15-19(20)21/h6-11,15H,3-5,12-14H2,1-2H3


name: 4-[(2-chloro-4-nitrophenyl)azo]-N-ethyl-N-[2-(octyloxy)ethyl]aniline
cas: 93762-08-4
formula: C24H34ClN4O3
inchikey: MYASRARSLCURFM-UHFFFAOYSA-N
norman_susdat_id: NS00062838
pubchem_cid: 3022200
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CCOCCCCCCCC)C(Cl)=C1
inchi:
InChI=1/C24H33ClN4O3/c1-3-5-6-7-8-9-17-32-18-16-28(4-2)21-12-10-20(11-13-21)26-27-24-15-14-22(29(30)31)19-23(24)25/h10-15,19H,3-9,16-18H2,1-2H3


name: Bis(3,5,5-trimethylhexyl) succinate
cas: 93762-13-1
dtxsid: DTXSID00918151
formula: C22H42O4
inchikey: VUPPMERFDOUARD-UHFFFAOYSA-N
norman_susdat_id: NS00062859
pubchem_cid: 3022205
smiles: O=C(OCCC(C)CC(C)(C)C)CCC(=O)OCCC(C)CC(C)(C)C
inchi:
InChI=1/C22H42O4/c1-17(15-21(3,4)5)11-13-25-19(23)9-10-20(24)26-14-12-18(2)16-22(6,7)8/h17-18H,9-16H2,1-8H3


name: Sodium isobutyl phthalate
cas: 93762-14-2
formula: C12H14O4.Na
inchikey: REWQYEQHPFDJHO-UHFFFAOYSA-M
norman_susdat_id: NS00091848
smiles: [Na+].CC(C)COC(=O)c1ccccc1C(=O)[O-]
inchi:
InChI=1/C12H14O4.Na/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14;/h3-6,8H,7H2,1-2H3,(H,13,14);/q;+1/p-1


name: QUATERNIUM-71
cas: 93762-18-6
chemspiderid: 17333937
formula: C39H75N2O3
inchikey: VEKTUJSNOPDMLI-MEZVWXLJSA-O
norman_susdat_id: NS00014032
pubchem_cid: 16205747
smiles: [Cl-].CCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCNC(=O)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1S/C39H74N2O3.ClH/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-33-38(42)40-34-32-35-41(3,4)37-39(43)44-36-31-29-27-25-23-18-16-14-12-10-8-6-2;/h13,15,19-20H,5-12,14,16-18,21-37H2,1-4H3;1H/b15-13+,20-19+;


name: (2-hydroxypropyl)methyldi(octadecyl)ammonium methyl sulphate
cas: 93762-20-0
dtxsid: DTXSID30918149
formula: C40H84NO
inchikey: JZUPSDSVFJCJBE-UHFFFAOYSA-M
norman_susdat_id: NS00062860
pubchem_cid: 21149708
smiles: O=S(=O)([O-])OC.OC(C)C[N+](C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H84NO.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(4,39-40(3)42)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h40,42H,5-39H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: Sodium trihydrogen [[[3-(1,3-dimethylbutoxy)propyl]imino]bis(methylene)]bisphosphonate
cas: 93762-21-1
dtxsid: DTXSID70918148
formula: C11H27NO7P2
inchikey: IIJRGBSRPWYALV-UHFFFAOYSA-J
norman_susdat_id: NS00062391
pubchem_cid: 44148933
smiles: [Na+].O=P([O-])([O-])CN(CCCOC(C)CC(C)C)CP(=O)([O-])[O-]
inchi:
InChI=1/C11H27NO7P2.Na/c1-10(2)7-11(3)19-6-4-5-12(8-20(13,14)15)9-21(16,17)18;/h10-11H,4-9H2,1-3H3,(H2,13,14,15)(H2,16,17,18);/q;+1/p-4


name: [[[3-(1,3-dimethylbutoxy)propyl]imino]bis(methylene)]bisphosphonic acid
cas: 93762-22-2
formula: C11H27NO7P2
inchikey: IFBFGDZOXAUWNR-UHFFFAOYSA-N
norman_susdat_id: NS00091111
smiles: CC(C)CC(C)OCCCN(CP(=O)(O)O)CP(=O)(O)O
inchi:
InChI=1/C11H27NO7P2/c1-10(2)7-11(3)19-6-4-5-12(8-20(13,14)15)9-21(16,17)18/h10-11H,4-9H2,1-3H3,(H2,13,14,15)(H2,16,17,18)


name: Salicylic acid, compound with 1-butyl-1H-imidazole (1:1)
cas: 93762-23-3
formula: C7H12N2.C7H6O3
inchikey: JLOMXOWSSCTDKF-UHFFFAOYSA-N
norman_susdat_id: NS00091256
smiles: CCCCn1ccnc1.OC(=O)c2ccccc2O
inchi:
InChI=1/C7H12N2.C7H6O3/c1-2-3-5-9-6-4-8-7-9;8-6-4-2-1-3-5(6)7(9)10/h4,6-7H,2-3,5H2,1H3;1-4,8H,(H,9,10)


name: Tridecyl hydrogen 2-butenedioate
cas: 93762-26-6
formula: C17H30O4
inchikey: FGACNJFGXDUISO-UHFFFAOYSA-N
norman_susdat_id: NS00062861
pubchem_cid: 108993
smiles: O=C(O)C=CC(=O)OCCCCCCCCCCCCC
inchi:
InChI=1/C17H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-17(20)14-13-16(18)19/h13-14H,2-12,15H2,1H3,(H,18,19)


name: 2-henicosyl-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride
cas: 93762-27-7
dtxsid: DTXSID90918145
formula: C28H58N2O2
inchikey: ZMMRABOTAPYQID-UHFFFAOYSA-N
norman_susdat_id: NS00063871
pubchem_cid: 3022214
smiles: [Cl-].OCCN1CC[NH+](CCO)C1CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H58N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-29(24-26-31)22-23-30(28)25-27-32;/h28,31-32H,2-27H2,1H3;1H


name: 4,5-dihydro-1,3-bis(2-hydroxyethyl)-2-undecyl-1H-imidazolium chloride
cas: 93762-28-8
dtxsid: DTXSID30918144
formula: C18H38N2O2
inchikey: AYIIXFAKXMHGKB-UHFFFAOYSA-N
norman_susdat_id: NS00063872
pubchem_cid: 3022216
smiles: [Cl-].OCCN1CC[NH+](CCO)C1CCCCCCCCCCC
inchi:
InChI=1/C18H38N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-18-19(14-16-21)12-13-20(18)15-17-22;/h18,21-22H,2-17H2,1H3;1H


name: 1-ethyl-2-henicosyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate
cas: 93762-30-2
dtxsid: DTXSID70918143
formula: C28H58N2O
inchikey: IUEAAJDHCYPBCZ-UHFFFAOYSA-N
norman_susdat_id: NS00062862
pubchem_cid: 57356039
smiles: O=S(=O)([O-])OCC.OCCN1CC[NH+](CC)C1CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H58N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-29(4-2)24-25-30(28)26-27-31;1-2-6-7(3,4)5/h28,31H,3-27H2,1-2H3;2H2,1H3,(H,3,4,5)


name: 1-ethyl-4,5-dihydro-3-(2-hydroxyethyl)-2-undecyl-1H-imidazolium ethyl sulphate
cas: 93762-32-4
dtxsid: DTXSID10918142
formula: C18H38N2O
inchikey: YWDBDVNAPCEUSM-UHFFFAOYSA-N
norman_susdat_id: NS00063873
pubchem_cid: 57356041
smiles: O=S(=O)([O-])OCC.OCCN1CC[NH+](CC)C1CCCCCCCCCCC
inchi:
InChI=1/C18H38N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-18-19(4-2)14-15-20(18)16-17-21;1-2-6-7(3,4)5/h18,21H,3-17H2,1-2H3;2H2,1H3,(H,3,4,5)


cas: 93762-36-8
formula: C34H31N3O9S2
inchikey: RQAWHRHMPIPFDC-UHFFFAOYSA-N
norman_susdat_id: NS00063875
pubchem_cid: 3022222
name:
5-(benzoylamino)-4-hydroxy-3-[[2-[4-(tert-pentyl)phenoxy]phenyl]azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C34H31N3O9S2/c1-4-34(2,3)23-14-16-24(17-15-23)46-28-13-9-8-12-26(28)36-37-31-29(48(43,44)45)19-22-18-25(47(40,41)42)20-27(30(22)32(31)38)35-33(39)21-10-6-5-7-11-21/h5-20,38H,4H2,1-3H3,(H,35,39)(H,40,41,42)(H,43,44,45)

smiles:
O=C(NC1=CC(=CC2=CC(=C(N=NC=3C=CC=CC3OC4=CC=C(C=C4)C(C)(C)CC)C(O)=C21)S(=O)(=O)O)S(=O)(=O)O)C=5C=CC=CC5


name: 5-(acetylamino)-3-[(4-dodecylphenyl)azo]-4-hydroxynaphthalene-2,7-disulphonic acid
cas: 93762-37-9
formula: C30H39N3O8S2
inchikey: AAKZHIRXVGWBRY-UHFFFAOYSA-N
norman_susdat_id: NS00091861
smiles: CC(=O)Nc2cc(cc3cc(c(N=Nc1ccc(CCCCCCCCCCCC)cc1)c(O)c23)S(O)(=O)=O)S(O)(=O)=O
inchi:
InChI=1/C30H39N3O8S2/c1-3-4-5-6-7-8-9-10-11-12-13-22-14-16-24(17-15-22)32-33-29-27(43(39,40)41)19-23-18-25(42(36,37)38)20-26(31-21(2)34)28(23)30(29)35/h14-20,35H,3-13H2,1-2H3,(H,31,34)(H,36,37,38)(H,39,40,41)


name: 20,20-Ethylenedioxy-17-hydroxy-1,4,6-pregnatrien-3-one
cas: 93771-36-9
chemspiderid: NA
formula: C23H30O4
inchikey: BJXCYYNRXOKYPB-ZFBQMQJZSA-N
norman_susdat_id: NS00002342
pubchem_cid: NA
smiles: CC1(OCCO1)[C@@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C23H30O4/c1-20-9-6-16(24)14-15(20)4-5-17-18(20)7-10-21(2)19(17)8-11-23(21,25)22(3)26-12-13-27-22/h4-6,9,14,17-19,25H,7-8,10-13H2,1-3H3/t17-,18+,19+,20+,21+,23-/m1/s1


name: 1,1'-(Oxybis((1-methylethylene)oxy))bis(3-(perfluorododecyl)propan-2-ol)
cas: 93776-00-2
chemspiderid: 21165434
dtxsid: DTXSID40881017
formula: C36H24F50O5
inchikey: PXYNEDUJSONOLW-UHFFFAOYSA-N
norman_susdat_id: NS00019315
pubchem_cid: NA
inchi:
InChI=1S/C36H24F50O5/c1-9(5-89-7-11(87)3-13(37,38)15(41,42)17(45,46)19(49,50)21(53,54)23(57,58)25(61,62)27(65,66)29(69,70)31(73,74)33(77,78)35(81,82)83)91-10(2)6-90-8-12(88)4-14(39,40)16(43,44)18(47,48)20(51,52)22(55,56)24(59,60)26(63,64)28(67,68)30(71,72)32(75,76)34(79,80)36(84,85)86/h9-12,87-88H,3-8H2,1-2H3

smiles:
CC(COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(C)COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 1,1'-[Oxybis[(1-methyl-2,1-ethanediyl)oxy]]bis[3-(perfluorodecyl)propan-2-ol]
cas: 93776-01-3
chemspiderid: NA
dtxsid: DTXSID00881018
formula: C32H24F42O5
inchikey: SDPBQXWNUJEWDU-UHFFFAOYSA-N
norman_susdat_id: NS00010947
pubchem_cid: 44151429
inchi:
InChI=1S/C32H24F42O5/c1-9(78-7-11(75)3-13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)25(57,58)27(61,62)29(65,66)31(69,70)71)5-77-6-10(2)79-8-12(76)4-14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(55,56)26(59,60)28(63,64)30(67,68)32(72,73)74/h9-12,75-76H,3-8H2,1-2H3

smiles:
CC(OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)COCC(OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C


name: 1,1'-(Oxybis(propyleneoxy))bis(3-(perfluorooctyl)propan-2-ol)
cas: 93776-02-4
chemspiderid: 21165435
dtxsid: DTXSID60881019
formula: C28H24F34O5
inchikey: NNSKOCZMIOWJNF-UHFFFAOYSA-N
norman_susdat_id: NS00019316
pubchem_cid: 44149831
inchi:
InChI=1S/C28H24F34O5/c1-9(5-65-7-11(63)3-13(29,30)15(33,34)17(37,38)19(41,42)21(45,46)23(49,50)25(53,54)27(57,58)59)67-10(2)6-66-8-12(64)4-14(31,32)16(35,36)18(39,40)20(43,44)22(47,48)24(51,52)26(55,56)28(60,61)62/h9-12,63-64H,3-8H2,1-2H3

smiles:
CC(COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(C)COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 1,1'-(Oxybis((1-methylethylene)oxy))bis(3-(perfluoro-11-methyldodecyl)propan-2-ol)
cas: 93776-03-5
chemspiderid: 21165436
dtxsid: DTXSID70881020
formula: C38H24F54O5
inchikey: AFHRHKTUTFIHHJ-UHFFFAOYSA-N
norman_susdat_id: NS00019317
pubchem_cid: NA
inchi:
InChI=1S/C38H24F54O5/c1-9(5-95-7-11(93)3-13(39,40)17(45,46)21(53,54)25(61,62)29(69,70)33(77,78)31(73,74)27(65,66)23(57,58)19(49,50)15(43,35(81,82)83)36(84,85)86)97-10(2)6-96-8-12(94)4-14(41,42)18(47,48)22(55,56)26(63,64)30(71,72)34(79,80)32(75,76)28(67,68)24(59,60)20(51,52)16(44,37(87,88)89)38(90,91)92/h9-12,93-94H,3-8H2,1-2H3

smiles:
CC(COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OC(C)COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


name: 1,1'-(Oxybis((2-methylethylene)oxy))bis(3-(perfluoro-9-methyldecyl)propan-2-ol)
cas: 93776-04-6
chemspiderid: NA
dtxsid: DTXSID30881021
formula: C34H24F46O5
inchikey: ACVJGNXQTVSKDY-UHFFFAOYSA-N
norman_susdat_id: NS00010948
pubchem_cid: 44152445
inchi:
InChI=1S/C34H24F46O5/c1-9(84-7-11(81)3-13(35,36)17(41,42)21(49,50)25(57,58)29(65,66)27(61,62)23(53,54)19(45,46)15(39,31(69,70)71)32(72,73)74)5-83-6-10(2)85-8-12(82)4-14(37,38)18(43,44)22(51,52)26(59,60)30(67,68)28(63,64)24(55,56)20(47,48)16(40,33(75,76)77)34(78,79)80/h9-12,81-82H,3-8H2,1-2H3

smiles:
CC(OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(F)C(F)(F)F)COCC(OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(F)C(F)(F)F)C


name: 1,1'-(Oxybis(propyleneoxy))bis(3-(perfluoro-7-methyloctyl)propan-2-ol)
cas: 93776-05-7
chemspiderid: 21165437
dtxsid: DTXSID90881022
formula: C30H24F38O5
inchikey: QIWKDYIRAPMRPM-UHFFFAOYSA-N
norman_susdat_id: NS00011014
pubchem_cid: 44147506
inchi:
InChI=1S/C30H24F38O5/c1-9(5-71-7-11(69)3-13(31,32)17(37,38)21(45,46)25(53,54)23(49,50)19(41,42)15(35,27(57,58)59)28(60,61)62)73-10(2)6-72-8-12(70)4-14(33,34)18(39,40)22(47,48)26(55,56)24(51,52)20(43,44)16(36,29(63,64)65)30(66,67)68/h9-12,69-70H,3-8H2,1-2H3

smiles:
CC(COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OC(C)COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


cas: 93776-06-8
chemspiderid: NA
formula: C34H45F25O11
inchikey: FEEORIGTDOMEJN-UHFFFAOYSA-N
norman_susdat_id: NS00010944
pubchem_cid: 101586402
name:
33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,43,43,44,44,44-pentacosafluoro-2,5,8,11,14,17,20,23,26-decaoxatetratetracontan-31-ol (English, Spanish) (EINECS)

inchi:
InChI=1S/C34H45F25O11/c1-61-2-3-62-4-5-63-6-7-64-8-9-65-10-11-66-12-13-67-14-15-68-16-17-69-18-19-70-21-22(60)20-23(35,36)24(37,38)25(39,40)26(41,42)27(43,44)28(45,46)29(47,48)30(49,50)31(51,52)32(53,54)33(55,56)34(57,58)59/h22,60H,2-21H2,1H3

smiles:
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 32-(Perfluorodecyl)-2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-31-ol
cas: 93776-07-9
chemspiderid: 21165438
dtxsid: DTXSID10881024
formula: C32H45F21O11
inchikey: PQQMYDRGSSPSSH-UHFFFAOYSA-N
norman_susdat_id: NS00010943
pubchem_cid: 13651413
inchi:
InChI=1S/C32H45F21O11/c1-55-2-3-56-4-5-57-6-7-58-8-9-59-10-11-60-12-13-61-14-15-62-16-17-63-18-19-64-21-22(54)20-23(33,34)24(35,36)25(37,38)26(39,40)27(41,42)28(43,44)29(45,46)30(47,48)31(49,50)32(51,52)53/h22,54H,2-21H2,1H3

smiles:
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O


name: 32-(Perfluorooctyl)-2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-31-ol
cas: 93776-08-0
chemspiderid: 21165439
dtxsid: DTXSID70881025
formula: C30H45F17O11
inchikey: WEOGRPHIYDSCLF-UHFFFAOYSA-N
norman_susdat_id: NS00019318
pubchem_cid: 44145718
smiles: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C30H45F17O11/c1-49-2-3-50-4-5-51-6-7-52-8-9-53-10-11-54-12-13-55-14-15-56-16-17-57-18-19-58-21-22(48)20-23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)29(43,44)30(45,46)47/h22,48H,2-21H2,1H3


name: 32-(Perfluoro-11-methyldodecyl)-2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-31-ol
cas: 93776-09-1
chemspiderid: 21165440
dtxsid: DTXSID30881026
formula: C35H45F27O11
inchikey: MCTLLDFQQNTIQG-UHFFFAOYSA-N
norman_susdat_id: NS00010945
pubchem_cid: 44150354
inchi:
InChI=1S/C35H45F27O11/c1-64-2-3-65-4-5-66-6-7-67-8-9-68-10-11-69-12-13-70-14-15-71-16-17-72-18-19-73-21-22(63)20-23(36,37)25(39,40)27(43,44)29(47,48)31(51,52)33(55,56)32(53,54)30(49,50)28(45,46)26(41,42)24(38,34(57,58)59)35(60,61)62/h22,63H,2-21H2,1H3

smiles:
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(F)C(F)(F)F


name: 32-(Perfluoro-9-methyldecyl)-2,5,8,11,14,17,20,23,26,29-decaoxodotriacontan-31-ol
cas: 93776-10-4
chemspiderid: 2288794
dtxsid: DTXSID90881027
formula: C43H45F23O11
inchikey: NFDIWGSYOGEYNO-UHFFFAOYSA-N
norman_susdat_id: NS00010946
pubchem_cid: 3022239
inchi:
InChI=1S/C43H45F23O11/c1-22(67)2-3-23(68)4-5-24(69)6-7-25(70)8-9-26(71)10-11-27(72)12-13-28(73)14-15-29(74)16-17-30(75)18-19-31(76)20-32(77)21-33(44,45)35(47,48)37(51,52)39(55,56)41(59,60)40(57,58)38(53,54)36(49,50)34(46,42(61,62)63)43(64,65)66/h32,77H,2-21H2,1H3

smiles:
C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(O)CC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)C


name: 32-(Perfluoro-7-methyloctyl)-2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-31-ol
cas: 93776-11-5
chemspiderid: 21165441
dtxsid: DTXSID50881028
formula: C31H45F19O11
inchikey: XTGCLCQOUPEKCR-UHFFFAOYSA-N
norman_susdat_id: NS00011012
pubchem_cid: 44151531
smiles: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(F)C(F)(F)F
inchi:
InChI=1S/C31H45F19O11/c1-52-2-3-53-4-5-54-6-7-55-8-9-56-10-11-57-12-13-58-14-15-59-16-17-60-18-19-61-21-22(51)20-23(32,33)25(35,36)27(39,40)29(43,44)28(41,42)26(37,38)24(34,30(45,46)47)31(48,49)50/h22,51H,2-21H2,1H3


name: (2-Carboxylatoethyl)dimethyl(((perfluorododecyl)-2-hydroxypropyl)amino)propylammonium
cas: 93776-12-6
chemspiderid: 2288795
dtxsid: DTXSID80881016
formula: C23H23F25N2O3
inchikey: ZPJOKRFOGKCNBA-UHFFFAOYSA-N
norman_susdat_id: NS00019319
pubchem_cid: 3022241
inchi:
InChI=1S/C23H23F25N2O3/c1-2-50(7-4-11(52)53)6-3-5-49-9-10(51)8-12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)20(40,41)21(42,43)22(44,45)23(46,47)48/h10,49,51H,2-9H2,1H3,(H,52,53)

smiles:
[H]N(CCC[N+]([H])(CC)CCC([O-])=O)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: (2-Carboxylatoethyl)-3-((perfluorodecyl)-2-hydroxypropyl)aminopropyldimethylammonium
cas: 93776-13-7
chemspiderid: 2288797
dtxsid: DTXSID10881029
formula: C21H24F21N2O3
inchikey: RONIKGBQXOKGOO-UHFFFAOYSA-N
norman_susdat_id: NS00010936
pubchem_cid: 3022242
inchi:
InChI=1S/C21H23F21N2O3/c1-44(2,7-4-11(46)47)6-3-5-43-9-10(45)8-12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)20(38,39)21(40,41)42/h10,43,45H,3-9H2,1-2H3

smiles:
C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)CNCCC[N+](CCC([O-])=O)(C)C


name: (2-Carboxyethyl)-3-((perfluorooctyl)-2-hydroxypropyl)aminopropyldimethylammonium hydroxide
cas: 93776-14-8
chemspiderid: 2288799
dtxsid: DTXSID20881030
formula: C19H24F17N2O3
inchikey: IYAILADQVOJMHN-UHFFFAOYSA-N
norman_susdat_id: NS00019320
pubchem_cid: 127256334
smiles: C[N+](C)(CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC([O-])=O
inchi:
InChI=1S/C19H23F17N2O3/c1-38(2,7-4-11(40)41)6-3-5-37-9-10(39)8-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h10,37,39H,3-9H2,1-2H3/p+1


name: (2-Carboxylatoethyl)-3-((perfluoro-11-methyldodecyl)-2-hydroxypropyl)aminopropyldimethylammonium
cas: 93776-15-9
chemspiderid: NA
dtxsid: DTXSID80881031
formula: C24H24F27N2O3
inchikey: CUFYORGVHPVESH-UHFFFAOYSA-O
norman_susdat_id: NS00010940
pubchem_cid: 56843532
inchi:
InChI=1S/C24H23F27N2O3/c1-53(2,7-4-11(55)56)6-3-5-52-9-10(54)8-12(25,26)14(28,29)16(32,33)18(36,37)20(40,41)22(44,45)21(42,43)19(38,39)17(34,35)15(30,31)13(27,23(46,47)48)24(49,50)51/h10,52,54H,3-9H2,1-2H3/p+1

smiles:
C[N+](CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(F)C(F)(F)F)(CCC(O)=O)C


name: Bis(2-hydroxyethyl)methyl(3-(perfluorododecyl)-2-hydroxypropyl)ammonium iodide
cas: 93776-16-0
chemspiderid: 2288801
dtxsid: DTXSID40881032
formula: C20H19F25N1O3
inchikey: YKFJAJAZXNTEBV-UHFFFAOYSA-M
norman_susdat_id: NS00019321
pubchem_cid: 21149711
inchi:
InChI=1S/C20H19F25NO3/c1-46(2-4-47,3-5-48)7-8(49)6-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h8,47-49H,2-7H2,1H3/q+1

smiles:
[I-].C[N+](CCO)(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Bis(2-hydroxyethyl)methyl(3-(perfluorodecyl)-2-hydroxypropyl)ammonium iodide
cas: 93776-17-1
chemspiderid: 2288803
dtxsid: DTXSID40881052
formula: C18H19F21N1O3
inchikey: MUAOZRGEITXUSH-UHFFFAOYSA-M
norman_susdat_id: NS00019322
pubchem_cid: 21149713
smiles: [I-].C[N+](CCO)(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C18H19F21NO3/c1-40(2-4-41,3-5-42)7-8(43)6-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h8,41-43H,2-7H2,1H3/q+1


name: Bis(2-hydroxyethyl)methyl(3-(perfluorooctyl)-2-hydroxypropyl)ammonium iodide
cas: 93776-18-2
chemspiderid: 2288805
dtxsid: DTXSID00881053
formula: C16H19F17N1O3
inchikey: FLUXYIDFACKMRM-UHFFFAOYSA-M
norman_susdat_id: NS00019323
pubchem_cid: 21149715
smiles: [I-].C[N+](CCO)(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H19F17NO3/c1-34(2-4-35,3-5-36)7-8(37)6-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h8,35-37H,2-7H2,1H3/q+1


name: Bis((perfluoro-15-methylhexadecyl)ethyl) hydrogen phosphate
cas: 93776-19-3
chemspiderid: 2288824
dtxsid: DTXSID60881054
formula: C38H9F70O4P1
inchikey: QHIGFJQLSNDTTI-UHFFFAOYSA-N
norman_susdat_id: NS00011044
pubchem_cid: 3022269
inchi:
InChI=1S/C38H9F70O4P/c39-5(40,9(45,46)13(53,54)17(61,62)21(69,70)25(77,78)29(85,86)33(93,94)31(89,90)27(81,82)23(73,74)19(65,66)15(57,58)11(49,50)7(43,35(97,98)99)36(100,101)102)1-3-111-113(109,110)112-4-2-6(41,42)10(47,48)14(55,56)18(63,64)22(71,72)26(79,80)30(87,88)34(95,96)32(91,92)28(83,84)24(75,76)20(67,68)16(59,60)12(51,52)8(44,37(103,104)105)38(106,107)108/h1-4H2,(H,109,110)

smiles:
C(O[P](OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)(=O)O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


name: Ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) phosphate
cas: 93776-20-6
formula: C20H9F34O4P.H3N
inchikey: JNZVTKOEMWLMOF-UHFFFAOYSA-N
norman_susdat_id: NS00091199
inchi:
InChI=1/C20H9F34O4P.H3N/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54;/h1-4H2,(H,55,56);1H3

smiles:
[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl] phosphate
cas: 93776-21-7
formula: C24H9F42O4P.H3N
inchikey: MUIQKLWXCDMTSP-UHFFFAOYSA-N
norman_susdat_id: NS00091200
inchi:
InChI=1/C24H9F42O4P.H3N/c25-5(26,7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)19(53,54)21(57,58)23(61,62)63)1-3-69-71(67,68)70-4-2-6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(47,48)18(51,52)20(55,56)22(59,60)24(64,65)66;/h1-4H2,(H,67,68);1H3

smiles:
[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 93776-22-8
formula: C28H9F50O4P.H3N
inchikey: CMINTWUWWYYWET-UHFFFAOYSA-N
norman_susdat_id: NS00091337
name:
Ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl) phosphate

inchi:
InChI=1/C28H9F50O4P.H3N/c29-5(30,7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)21(61,62)23(65,66)25(69,70)27(73,74)75)1-3-81-83(79,80)82-4-2-6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(59,60)22(63,64)24(67,68)26(71,72)28(76,77)78;/h1-4H2,(H,79,80);1H3

smiles:
[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 93776-23-9
formula: C36H9F66O4P.H3N
inchikey: OGDIQSOBOWNNQC-UHFFFAOYSA-N
norman_susdat_id: NS00091213
name:
Ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl] phosphate

inchi:
InChI=1/C36H9F66O4P.H3N/c37-5(38,7(41,42)9(45,46)11(49,50)13(53,54)15(57,58)17(61,62)19(65,66)21(69,70)23(73,74)25(77,78)27(81,82)29(85,86)31(89,90)33(93,94)35(97,98)99)1-3-105-107(103,104)106-4-2-6(39,40)8(43,44)10(47,48)12(51,52)14(55,56)16(59,60)18(63,64)20(67,68)22(71,72)24(75,76)26(79,80)28(83,84)30(87,88)32(91,92)34(95,96)36(100,101)102;/h1-4H2,(H,103,104);1H3

smiles:
[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro9-(trifluoromethyl)decyl] phosphate
cas: 93776-24-0
formula: C22H9F38O4P.H3N
inchikey: PAJVLINIFULMHT-UHFFFAOYSA-N
norman_susdat_id: NS00091449
inchi:
InChI=1/C22H9F38O4P.H3N/c23-5(24,9(29,30)13(37,38)17(45,46)15(41,42)11(33,34)7(27,19(49,50)51)20(52,53)54)1-3-63-65(61,62)64-4-2-6(25,26)10(31,32)14(39,40)18(47,48)16(43,44)12(35,36)8(28,21(55,56)57)22(58,59)60;/h1-4H2,(H,61,62);1H3

smiles:
[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


cas: 93776-25-1
formula: C26H9F46O4P.H3N
inchikey: XHKCGZYCGBPERC-UHFFFAOYSA-N
norman_susdat_id: NS00091969
name:
Ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] phosphate

inchi:
InChI=1/C26H9F46O4P.H3N/c27-5(28,9(33,34)13(41,42)17(49,50)21(57,58)19(53,54)15(45,46)11(37,38)7(31,23(61,62)63)24(64,65)66)1-3-75-77(73,74)76-4-2-6(29,30)10(35,36)14(43,44)18(51,52)22(59,60)20(55,56)16(47,48)12(39,40)8(32,25(67,68)69)26(70,71)72;/h1-4H2,(H,73,74);1H3

smiles:
[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


cas: 93776-26-2
formula: C30H9F54O4P.H3N
inchikey: JTYNPYXYRZDCAK-UHFFFAOYSA-N
norman_susdat_id: NS00091225
name:
Ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl) phosphate

inchi:
InChI=1/C30H9F54O4P.H3N/c31-5(32,9(37,38)13(45,46)17(53,54)21(61,62)25(69,70)23(65,66)19(57,58)15(49,50)11(41,42)7(35,27(73,74)75)28(76,77)78)1-3-87-89(85,86)88-4-2-6(33,34)10(39,40)14(47,48)18(55,56)22(63,64)26(71,72)24(67,68)20(59,60)16(51,52)12(43,44)8(36,29(79,80)81)30(82,83)84;/h1-4H2,(H,85,86);1H3

smiles:
[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


cas: 93776-27-3
formula: C34H9F62O4P.H3N
inchikey: YFJAQIPQNPVIHY-UHFFFAOYSA-N
norman_susdat_id: NS00091226
name:
Ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl] phosphate

inchi:
InChI=1/C34H9F62O4P.H3N/c35-5(36,9(41,42)13(49,50)17(57,58)21(65,66)25(73,74)29(81,82)27(77,78)23(69,70)19(61,62)15(53,54)11(45,46)7(39,31(85,86)87)32(88,89)90)1-3-99-101(97,98)100-4-2-6(37,38)10(43,44)14(51,52)18(59,60)22(67,68)26(75,76)30(83,84)28(79,80)24(71,72)20(63,64)16(55,56)12(47,48)8(40,33(91,92)93)34(94,95)96;/h1-4H2,(H,97,98);1H3

smiles:
[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


cas: 93776-28-4
formula: C38H9F70O4P.H3N
inchikey: FXCLFLOUGBGIGW-UHFFFAOYSA-N
norman_susdat_id: NS00093452
name:
Ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] phosphate

inchi:
InChI=1/C38H9F70O4P.H3N/c39-5(40,9(45,46)13(53,54)17(61,62)21(69,70)25(77,78)29(85,86)33(93,94)31(89,90)27(81,82)23(73,74)19(65,66)15(57,58)11(49,50)7(43,35(97,98)99)36(100,101)102)1-3-111-113(109,110)112-4-2-6(41,42)10(47,48)14(55,56)18(63,64)22(71,72)26(79,80)30(87,88)34(95,96)32(91,92)28(83,84)24(75,76)20(67,68)16(59,60)12(51,52)8(44,37(103,104)105)38(106,107)108;/h1-4H2,(H,109,110);1H3

smiles:
[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


name: Bis((perfluoro-13-methyltetradecyl)ethyl) hydrogen phosphate
cas: 93776-29-5
chemspiderid: 2288822
dtxsid: DTXSID00881058
formula: C34H9F62O4P1
inchikey: VTOKHKRGJLAVHV-UHFFFAOYSA-N
norman_susdat_id: NS00011042
pubchem_cid: 3022267
inchi:
InChI=1S/C34H9F62O4P/c35-5(36,9(41,42)13(49,50)17(57,58)21(65,66)25(73,74)29(81,82)27(77,78)23(69,70)19(61,62)15(53,54)11(45,46)7(39,31(85,86)87)32(88,89)90)1-3-99-101(97,98)100-4-2-6(37,38)10(43,44)14(51,52)18(59,60)22(67,68)26(75,76)30(83,84)28(79,80)24(71,72)20(63,64)16(55,56)12(47,48)8(40,33(91,92)93)34(94,95)96/h1-4H2,(H,97,98)

smiles:
C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CO[P](OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)(O)=O


cas: 93776-30-8
formula: C34H9F62O4P.C4H11NO2
inchikey: ZDLDNYXLNRTCDA-UHFFFAOYSA-N
norman_susdat_id: NS00091970
name:
Bis(2-hydroxyethyl)ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl] phosphate

inchi:
InChI=1/C34H9F62O4P.C4H11NO2/c35-5(36,9(41,42)13(49,50)17(57,58)21(65,66)25(73,74)29(81,82)27(77,78)23(69,70)19(61,62)15(53,54)11(45,46)7(39,31(85,86)87)32(88,89)90)1-3-99-101(97,98)100-4-2-6(37,38)10(43,44)14(51,52)18(59,60)22(67,68)26(75,76)30(83,84)28(79,80)24(71,72)20(63,64)16(55,56)12(47,48)8(40,33(91,92)93)34(94,95)96;6-3-1-5-2-4-7/h1-4H2,(H,97,98);5-7H,1-4H2

smiles:
OCC[NH2+]CCO.[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


cas: 93776-31-9
formula: C38H9F70O4P.C4H11NO2
inchikey: USUQVGQWXMPNTE-UHFFFAOYSA-N
norman_susdat_id: NS00093441
name:
Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)

inchi:
InChI=1/C38H9F70O4P.C4H11NO2/c39-5(40,9(45,46)13(53,54)17(61,62)21(69,70)25(77,78)29(85,86)33(93,94)31(89,90)27(81,82)23(73,74)19(65,66)15(57,58)11(49,50)7(43,35(97,98)99)36(100,101)102)1-3-111-113(109,110)112-4-2-6(41,42)10(47,48)14(55,56)18(63,64)22(71,72)26(79,80)30(87,88)34(95,96)32(91,92)28(83,84)24(75,76)20(67,68)16(59,60)12(51,52)8(44,37(103,104)105)38(106,107)108;6-3-1-5-2-4-7/h1-4H2,(H,109,110);5-7H,1-4H2

smiles:
OCCNCCO.OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


name: Sodium dibutylnaphthalene-2-sulphonate
cas: 93776-42-2
chemspiderid: 2288825
dtxsid: DTXSID50239601
formula: C18H24O3S1
inchikey: NIEGNJJAHOXNPJ-UHFFFAOYSA-M
norman_susdat_id: NS00020549
pubchem_cid: 23662571
smiles: [Na+].CCCCC1=CC2=CC=CC=C2C(CCCC)=C1S([O-])(=O)=O
inchi:
InChI=1S/C18H24O3S/c1-3-5-9-15-13-14-10-7-8-12-16(14)17(11-6-4-2)18(15)22(19,20)21/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21)


name: Didocosyl hydrogen citrate
cas: 93776-46-6
dtxsid: DTXSID80918119
formula: C50H96O7
inchikey: GAPKKWUPBDRGSG-UHFFFAOYSA-N
norman_susdat_id: NS00062875
pubchem_cid: 44154305
smiles: O=C(O)CC(O)(C(=O)OCCCCCCCCCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C50H96O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-56-48(53)46-50(55,45-47(51)52)49(54)57-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h55H,3-46H2,1-2H3,(H,51,52)


name: Ditetradecyl hydrogen 2-hydroxypropane-1,2,3-tricarboxylate
cas: 93776-47-7
dtxsid: DTXSID20918118
formula: C34H64O7
inchikey: LRDZHQNYGXJJTJ-UHFFFAOYSA-N
norman_susdat_id: NS00062876
pubchem_cid: 44153267
smiles: O=C(O)CC(O)(C(=O)OCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1/C34H64O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-40-32(37)30-34(39,29-31(35)36)33(38)41-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-30H2,1-2H3,(H,35,36)


cas: 93776-59-1
dtxsid: DTXSID70918108
formula: C29H28ClN9O7S2
inchikey: JGJYSCOHNZYRCU-UHFFFAOYSA-M
norman_susdat_id: NS00063060
pubchem_cid: NA
name:
Sodium 2-[[2-amino-8-hydroxy-6-[(methylanilino)sulphonyl]-1-naphthyl]azo]-4-[[4-chloro-6-[(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate

inchi:
InChI=1/C29H28ClN9O7S2.Na/c1-16-5-3-4-6-21(16)39-47(41,42)19-13-17-7-9-20(31)26(25(17)23(40)15-19)38-37-22-14-18(8-10-24(22)48(43,44)45)33-29-35-27(30)34-28(36-29)32-11-12-46-2;/h3-10,13-15,39-40H,11-12,31H2,1-2H3,(H,43,44,45)(H2,32,33,34,35,36);/q;+1/p-1

smiles:
[Na+].O=S(=O)([O-])C1=CC=C(C=C1N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)NC=4C=CC=CC4C)NC5=NC(Cl)=NC(=N5)NCCOC


name: Phosphoric acid, decyl ester, compd. with 2-aminoethanol
cas: 93776-60-4
formula: -
inchikey: WMINQRJMNXJWPL-UHFFFAOYSA-N
norman_susdat_id: NS00091980
smiles: CCCCCCCCCCOP(=O)(O)O.NCCO
inchi:
InChI=1/C10H23O4P.C2H7NO/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;3-1-2-4/h2-10H2,1H3,(H2,11,12,13);4H,1-3H2


name: Phosphoric acid, decyl ester, compd. with 2,2',2''-nitrilotris[ethanol]
cas: 93776-61-5
formula: -
inchikey: CUURWMQUSOKQFI-UHFFFAOYSA-N
norman_susdat_id: NS00091230
smiles: CCCCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO
inchi:
InChI=1/C10H23O4P.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;8-4-1-7(2-5-9)3-6-10/h2-10H2,1H3,(H2,11,12,13);8-10H,1-6H2


name: Iron(3+) potassium 2-hydroxypropane-1,2,3-tricarboxylate(3:3:4)
cas: 93776-70-6
formula: C6H8O7.3/4Fe.3/4K
inchikey: MGSZEHDEEXNSRW-UHFFFAOYSA-B
norman_susdat_id: NS00091464
inchi:
InChI=1/4C6H8O7.3Fe.3K/c4*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h4*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;/q;;;;3*+3;3*+1/p-12

smiles:
[Fe+3].[Fe+3].[Fe+3].[K+].[K+].[K+].O=C([O-])CC(O)(CC(=O)[O-])C([O-])=O.[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O.[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O.[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O


cas: 93776-72-8
formula: C18H20Cl2N5
inchikey: FQJQKXKPVUPBCH-UHFFFAOYSA-J
norman_susdat_id: NS00062896
pubchem_cid: 44146983
name:
Bis[4-chloro-3-[[3-chloro-4-[(2-cyanoethyl)amino]phenyl]azo]-N,N,N-trimethylanilinium] tetrachlorozincate

inchi:
InChI=1/2C18H20Cl2N5.4ClH.Zn/c2*1-25(2,3)14-6-7-15(19)18(12-14)24-23-13-5-8-17(16(20)11-13)22-10-4-9-21;;;;;/h2*5-8,11-12,22H,4,10H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C18H20Cl2N5.Cl4Zn/c2*1-25(2,3)14-6-7-15(19)18(12-14)24-23-13-5-8-17(16(20)11-13)22-10-4-9-21;1-5(2,3)4/h2*5-8,11-12,22H,4,10H2,1-3H3;/q2*+1;-2

smiles:
N#CCCNC1=CC=C(N=NC2=CC(=CC=C2Cl)[N+](C)(C)C)C=C1Cl.N#CCCNC1=CC=C(N=NC2=CC(=CC=C2Cl)[N+](C)(C)C)C=C1Cl.Cl[Zn-2](Cl)(Cl)Cl


name: Bismuth(3+) (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-ß-alaninate
cas: 93776-76-2
formula: C9H17NO5.1/3Bi
inchikey: GIXWMVLXJVCGHP-GKCYKVBLSA-K
norman_susdat_id: NS00091465
inchi:
InChI=1/3C9H17NO5.Bi.3H/c3*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;;;/h3*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;;;/q;;;+3;;;/p-3/r3C9H17NO5.BiH3/c3*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h3*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);1H3/q;;;+3/p-3

smiles:
[BiH3+3].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-]


name: Diethyl(2-hydroxyethyl)ammonium palmitate
cas: 93776-82-0
formula: C16H32O2.C6H15NO
inchikey: VMLYOMOCGGLDCK-UHFFFAOYSA-N
norman_susdat_id: NS00091466
smiles: CCCCCCCCCCCCCCCC(=O)[O-].CC[NH+](CC)CCO
inchi:
InChI=1/C16H32O2.C6H15NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-7(4-2)5-6-8/h2-15H2,1H3,(H,17,18);8H,3-6H2,1-2H3


name: Sodium hydrogen 8-amino-3-hydroxynaphthalene-1,5-disulphonate
cas: 93776-87-5
dtxsid: DTXSID40918094
formula: C10H9NO7S2
inchikey: XYCKNWOLHQBPNL-UHFFFAOYSA-L
norman_susdat_id: NS00062898
pubchem_cid: 13685333
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N)C=2C1=CC(O)=CC2S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO7S2.Na/c11-7-1-2-8(19(13,14)15)6-3-5(12)4-9(10(6)7)20(16,17)18;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-2


cas: 93776-89-7
formula: C15H44N5O21P7.8H3N
inchikey: IKZIZKNJWQNFME-UHFFFAOYSA-H
norman_susdat_id: NS00091467
name:
Octaammonium tetrahydrogen [2,5,8,11,14-pentakis(phosphonatomethyl)-2,5,8,11,14-pentaazapentadecane-1,15-diyl]bisphosphonate

inchi:
InChI=1/C15H44N5O21P7.8H3N/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);8*1H3/p-6

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: 3,4-dihydro-6,7,8-trimethoxy-2-methylisoquinolinium methyl sulphate
cas: 93776-98-8
dtxsid: DTXSID00918090
formula: C13H18NO3
inchikey: OOZBVDZNDNTFRV-UHFFFAOYSA-M
norman_susdat_id: NS00062901
pubchem_cid: 16205764
smiles: O=S(=O)([O-])OC.O(C1=CC2=C(C=[N+](C)CC2)C(OC)=C1OC)C
inchi:
InChI=1/C13H18NO3.CH4O4S/c1-14-6-5-9-7-11(15-2)13(17-4)12(16-3)10(9)8-14;1-5-6(2,3)4/h7-8H,5-6H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: Sodium 4-[[4-(aminosulphonyl)phenyl]amino]-4-oxobutyrate
cas: 93777-01-6
formula: C10H12N2O5S.Na
inchikey: ZSSBHMSGBSLUHH-UHFFFAOYSA-M
norman_susdat_id: NS00091378
smiles: [Na+].NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1
inchi:
InChI=1/C10H12N2O5S.Na/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15;/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17);/q;+1/p-1


name: Diethyl(2-hydroxyethyl)ammonium (1S)-2-oxobornane-10-sulphonate
cas: 93777-03-8
formula: C10H16O4S.C6H15NO
inchikey: LDKMKHPPNJOGRA-DLGLCQKISA-N
norman_susdat_id: NS00091981
smiles: CC[NH+](CC)CCO.CC1(C)C2CC[C@@]1(CS(=O)(=O)[O-])C(=O)C2
inchi:
InChI=1/C10H16O4S.C6H15NO/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;1-3-7(4-2)5-6-8/h7H,3-6H2,1-2H3,(H,12,13,14);8H,3-6H2,1-2H3


cas: 93777-06-1
formula: C22H26F3N3OS.2C5H7NO3
inchikey: ZUJAHEXTOISUPZ-YHUPNWGDSA-N
norman_susdat_id: NS00091239
smiles: OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1.OC(=O)[C@@H]5CCC(=O)N5.OC(=O)[C@@H]6CCC(=O)N6
name:
5-oxo-L-proline, compound with 4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]piperazine-1-ethanol (2:1)

inchi:
InChI=1/C22H26F3N3OS.2C5H7NO3/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29;2*7-4-2-1-3(6-4)5(8)9/h1-2,4-7,16,29H,3,8-15H2;2*3H,1-2H2,(H,6,7)(H,8,9)


cas: 93777-10-7
formula: C51H40N12O15S4
inchikey: BTKTWJIURDIYJZ-UHFFFAOYSA-J
norman_susdat_id: NS00063119
pubchem_cid: NA
name:
2-Naphthalenesulfonic acid, 6-[(2,4-diamino-5-sulfophenyl)azo]-4-hydroxy-3-[[4-[[4-[[1-hydroxy-7-[[4-hydroxy-2-[(2-methylphenyl)amino]phenyl]azo]-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-, tetrasodium salt

inchi:
InChI=1/C51H40N12O15S4.4Na/c1-26-4-2-3-5-39(26)55-43-23-34(64)15-17-40(43)60-57-31-8-6-27-18-46(81(73,74)75)48(50(65)35(27)20-31)62-56-30-12-10-29(11-13-30)54-41-16-14-33(22-45(41)80(70,71)72)59-63-49-47(82(76,77)78)19-28-7-9-32(21-36(28)51(49)66)58-61-42-25-44(79(67,68)69)38(53)24-37(42)52;;;;/h2-25,54-55,64-66H,52-53H2,1H3,(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC(N=NC2=CC=C3C=C(C(N=NC4=CC=C(NC5=CC=C(N=NC6=C(O)C7=CC(N=NC8=CC=C(O)C=C8NC=9C=CC=CC9C)=CC=C7C=C6S(=O)(=O)[O-])C=C5)C(=C4)S(=O)(=O)[O-])=C(O)C3=C2)S(=O)(=O)[O-])=C(N)C=C1N


name: (2-Carboxylatoethyl)-3-((perfluoro-9-methyldecyl)-2-hydroxypropyl)aminopropyldimethylammonium
cas: 93777-12-9
chemspiderid: 2288837
dtxsid: DTXSID90881062
formula: C22H24F23N2O3
inchikey: STUDPFBKDMTGFQ-UHFFFAOYSA-N
norman_susdat_id: NS00010941
pubchem_cid: 3022286
inchi:
InChI=1S/C22H23F23N2O3/c1-47(2,7-4-11(49)50)6-3-5-46-9-10(48)8-12(23,24)14(26,27)16(30,31)18(34,35)20(38,39)19(36,37)17(32,33)15(28,29)13(25,21(40,41)42)22(43,44)45/h10,46,48H,3-9H2,1-2H3

smiles:
C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(O)CNCCC[N+](CCC([O-])=O)(C)C


cas: 93777-13-0
formula: C32H9F58O4P.H3N
inchikey: YVHYEVBMNZJWKJ-UHFFFAOYSA-N
norman_susdat_id: NS00091500
name:
Ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl] phosphate

inchi:
InChI=1/C32H9F58O4P.H3N/c33-5(34,7(37,38)9(41,42)11(45,46)13(49,50)15(53,54)17(57,58)19(61,62)21(65,66)23(69,70)25(73,74)27(77,78)29(81,82)31(85,86)87)1-3-93-95(91,92)94-4-2-6(35,36)8(39,40)10(43,44)12(47,48)14(51,52)16(55,56)18(59,60)20(63,64)22(67,68)24(71,72)26(75,76)28(79,80)30(83,84)32(88,89)90;/h1-4H2,(H,91,92);1H3

smiles:
[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Bis[2-(acetoxy)ethyl]benzyldodecylammonium chloride
cas: 93777-18-5
dtxsid: DTXSID80918078
formula: C27H46NO4
inchikey: XBEANSGDACVEFX-UHFFFAOYSA-M
norman_susdat_id: NS00064141
pubchem_cid: 21149717
smiles: [Cl-].O=C(OCC[N+](CC=1C=CC=CC1)(CCOC(=O)C)CCCCCCCCCCCC)C
inchi:
InChI=1/C27H46NO4.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-28(20-22-31-25(2)29,21-23-32-26(3)30)24-27-17-14-13-15-18-27;/h13-15,17-18H,4-12,16,19-24H2,1-3H3;1H/q+1;/p-1


name: Diisopropenyl 3,3'-[(diphenylsilylene)bis(oxy)]dipropionate
cas: 93777-19-6
dtxsid: DTXSID20918077
formula: C24H28O6Si
inchikey: UOCNLWADXHUMPD-UHFFFAOYSA-N
norman_susdat_id: NS00062931
pubchem_cid: 44148421
smiles: O=C(OC(=C)C)CCO[Si](OCCC(=O)OC(=C)C)(C=1C=CC=CC1)C=2C=CC=CC2
inchi:
InChI=1/C24H28O6Si/c1-19(2)29-23(25)15-17-27-31(21-11-7-5-8-12-21,22-13-9-6-10-14-22)28-18-16-24(26)30-20(3)4/h5-14H,1,3,15-18H2,2,4H3


name: 2-(4-(1,3-Dioxobutyl)phenoxy)ethyl undecanoate
cas: 93777-20-9
chemspiderid: 2288845
dtxsid: DTXSID40239610
formula: C23H34O5
inchikey: GZUFZHNCCSFMSZ-UHFFFAOYSA-N
norman_susdat_id: NS00039599
pubchem_cid: 3022294
smiles: CCCCCCCCCCC(=O)OCCOc1ccc(cc1)C(=O)CC(=O)C
inchi:
InChI=1S/C23H34O5/c1-3-4-5-6-7-8-9-10-11-23(26)28-17-16-27-21-14-12-20(13-15-21)22(25)18-19(2)24/h12-15H,3-11,16-18H2,1-2H3


name: Dodecyl (4-(1,3-dioxobutyl)phenoxy)acetate
cas: 93777-21-0
chemspiderid: 2288846
dtxsid: DTXSID00239611
formula: C24H36O5
inchikey: AKATWDMRLRLIRX-UHFFFAOYSA-N
norman_susdat_id: NS00039600
pubchem_cid: 3022295
smiles: CCCCCCCCCCCCOC(=O)COc1ccc(cc1)C(=O)CC(=O)C
inchi:
InChI=1S/C24H36O5/c1-3-4-5-6-7-8-9-10-11-12-17-28-24(27)19-29-22-15-13-21(14-16-22)23(26)18-20(2)25/h13-16H,3-12,17-19H2,1-2H3


name: Bis[2,4,6-tris(1-phenylethyl)phenyl] hydrogen phosphate
cas: 93777-22-1
formula: C60H59O4P
inchikey: ZAAULMRZYFHALK-UHFFFAOYSA-N
norman_susdat_id: NS00062678
pubchem_cid: 16205768
inchi:
InChI=1/C60H59O4P/c1-41(47-25-13-7-14-26-47)53-37-55(43(3)49-29-17-9-18-30-49)59(56(38-53)44(4)50-31-19-10-20-32-50)63-65(61,62)64-60-57(45(5)51-33-21-11-22-34-51)39-54(42(2)48-27-15-8-16-28-48)40-58(60)46(6)52-35-23-12-24-36-52/h7-46H,1-6H3,(H,61,62)

smiles:
O=P(O)(OC=1C(=CC(=CC1C(C=2C=CC=CC2)C)C(C=3C=CC=CC3)C)C(C=4C=CC=CC4)C)OC=5C(=CC(=CC5C(C=6C=CC=CC6)C)C(C=7C=CC=CC7)C)C(C=8C=CC=CC8)C


name: 2,4,6-tris(1-phenylethyl)phenyl dihydrogen phosphate
cas: 93777-23-2
dtxsid: DTXSID60918076
formula: C30H31O4P
inchikey: IRQQJMNMJVDQPW-UHFFFAOYSA-N
norman_susdat_id: NS00062932
pubchem_cid: 16205769
smiles: O=P(O)(O)OC=1C(=CC(=CC1C(C=2C=CC=CC2)C)C(C=3C=CC=CC3)C)C(C=4C=CC=CC4)C
inchi:
InChI=1/C30H31O4P/c1-21(24-13-7-4-8-14-24)27-19-28(22(2)25-15-9-5-10-16-25)30(34-35(31,32)33)29(20-27)23(3)26-17-11-6-12-18-26/h4-23H,1-3H3,(H2,31,32,33)


name: (4-(Bis(3-(carboxymethyl)-4-ethoxyphenyl)methylene)-2,5-cyclohexadien-1-ylidene)dimethylammonium
cas: 93777-27-6
chemspiderid: 2288847
dtxsid: DTXSID60239612
formula: C29H32N1O6
inchikey: BRZTVPLBBCSZPW-UHFFFAOYSA-N
norman_susdat_id: NS00039601
pubchem_cid: 44151161
smiles: CCOc1c(CC(=O)O)cc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1cc(CC(=O)O)c(OCC)cc1
inchi:
InChI=1S/C29H31NO6/c1-5-35-25-13-9-20(15-22(25)17-27(31)32)29(19-7-11-24(12-8-19)30(3)4)21-10-14-26(36-6-2)23(16-21)18-28(33)34/h7-16H,5-6,17-18H2,1-4H3,(H-,31,32,33,34)/p+1


cas: 93777-29-8
formula: C105H188N8O16
inchikey: IWECNPUGBGBSCP-UHFFFAOYSA-N
norman_susdat_id: NS00066764
pubchem_cid: 101586407
name:
7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosan-21-one, 20,20'-[[2,2-bis[[2-hydroxy-3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11.2]heneicos-20-yl)propoxy]methyl]-1,3-propanediyl]bis[oxy(2-hydroxy-3,1-propanediyl)]]bis[2,2,4,4-tetramethyl-

inchi:
InChI=1/C105H188N8O16/c1-89(2)69-98(70-90(3,4)106-89)85(118)110(102(126-98)53-45-37-29-21-17-22-30-38-46-54-102)61-81(114)65-122-77-97(78-123-66-82(115)62-111-86(119)99(71-91(5,6)107-92(7,8)72-99)127-103(111)55-47-39-31-23-18-24-32-40-48-56-103,79-124-67-83(116)63-112-87(120)100(73-93(9,10)108-94(11,12)74-100)128-104(112)57-49-41-33-25-19-26-34-42-50-58-104)80-125-68-84(117)64-113-88(121)101(75-95(13,14)109-96(15,16)76-101)129-105(113)59-51-43-35-27-20-28-36-44-52-60-105/h81-84,106-109,114-117H,17-80H2,1-16H3

smiles:
O=C1N(CC(O)COCC(COCC(O)CN2C(=O)C3(OC24CCCCCCCCCCC4)CC(NC(C)(C)C3)(C)C)(COCC(O)CN5C(=O)C6(OC57CCCCCCCCCCC7)CC(NC(C)(C)C6)(C)C)COCC(O)CN8C(=O)C9(OC8%10CCCCCCCCCCC%10)CC(NC(C)(C)C9)(C)C)C%11(OC1%12CC(NC(C)(C)C%12)(C)C)CCCCCCCCCCC%11


name: N-(5-amino-2,4-dimethylphenyl)benzamide monohydrochloride
cas: 93777-30-1
formula: C15H16N2O.ClH
inchikey: LJHXAOHGOAMGMR-UHFFFAOYSA-N
norman_susdat_id: NS00091501
smiles: Cl.Cc1cc(C)c(NC(=O)c2ccccc2)cc1N
inchi:
InChI=1/C15H16N2O.ClH/c1-10-8-11(2)14(9-13(10)16)17-15(18)12-6-4-3-5-7-12;/h3-9H,16H2,1-2H3,(H,17,18);1H


name: Tetradecyl hydrogen adipate
cas: 93777-47-0
dtxsid: DTXSID40918059
formula: C20H38O4
inchikey: XMYCZOXVMFOCCP-UHFFFAOYSA-N
norman_susdat_id: NS00064164
pubchem_cid: 21986592
smiles: O=C(O)CCCCC(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-24-20(23)17-14-13-16-19(21)22/h2-18H2,1H3,(H,21,22)


name: Stearic acid, compound with (Z)-octadec-9-enylamine (1:1)
cas: 93777-48-1
formula: C18H37N.C18H36O2
inchikey: FNNFSGKGYOHYDK-KVVVOXFISA-N
norman_susdat_id: NS00091244
smiles: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCC\C=C/CCCCCCCCN
inchi:
InChI=1/C18H37N.C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-19H2,1H3;2-17H2,1H3,(H,19,20)


name: (Z)-octadec-9-enylammonium palmitate
cas: 93777-49-2
formula: C18H37N.C16H32O2
inchikey: FWSDXEJESHCMOJ-KVVVOXFISA-N
norman_susdat_id: NS00091010
smiles: CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC[NH3+]
inchi:
InChI=1/C18H37N.C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10H,2-8,11-19H2,1H3;2-15H2,1H3,(H,17,18)


name: Lauric acid, compound with (Z)-octadec-9-en-1-amine (1:1)
cas: 93777-51-6
formula: C18H37N.C12H24O2
inchikey: FJCDGYBVXFBQSV-KVVVOXFISA-N
norman_susdat_id: NS00091149
smiles: CCCCCCCCCCCC(=O)O.CCCCCCCC\C=C/CCCCCCCCN
inchi:
InChI=1/C18H37N.C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h9-10H,2-8,11-19H2,1H3;2-11H2,1H3,(H,13,14)


name: Tris(2-hydroxyethyl)ammonium dihexadecyl phosphate
cas: 93777-52-7
formula: C32H67O4P.C6H15NO3
inchikey: OTOYAWQBIJQTRP-UHFFFAOYSA-N
norman_susdat_id: NS00092283
smiles: CCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC.OCC[NH+](CCO)CCO
inchi:
InChI=1/C32H67O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h3-32H2,1-2H3,(H,33,34);8-10H,1-6H2


name: Octadec-9-enyl tetradecyl hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 93777-54-9
formula: C32H65O4P
inchikey: MDCWIKHKUWBKGU-UHFFFAOYSA-N
norman_susdat_id: NS00064695
pubchem_cid: NA
smiles: O=P(O)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCCCCCCC.OCCN(CCO)CCO
inchi:
InChI=1/C32H65O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36-37(33,34)35-31-29-27-25-23-21-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h17-18H,3-16,19-32H2,1-2H3,(H,33,34);8-10H,1-6H2


name: Hexadecyl tetradecyl hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 93777-55-0
dtxsid: DTXSID20918057
formula: C30H63O4P
inchikey: JSFWFRSUKUVHMM-UHFFFAOYSA-N
norman_susdat_id: NS00064696
pubchem_cid: 44149787
smiles: O=P(O)(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC.OCCN(CCO)CCO
inchi:
InChI=1/C30H63O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34-35(31,32)33-29-27-25-23-21-19-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h3-30H2,1-2H3,(H,31,32);8-10H,1-6H2


cas: 93777-57-2
formula: C20H22ClN.1/2C10H8O6S2
inchikey: OCOQSLMGOIWOJJ-UHFFFAOYSA-N
norman_susdat_id: NS00092043
name:
Naphthalene-1,5-disulphonic acid, compound with 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine (1:2)

inchi:
InChI=1/2C20H22ClN.C10H8O6S2/c2*21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*1-3,6-12H,4-5,13-16H2;1-6H,(H,11,12,13)(H,14,15,16)

smiles:
OS(=O)(=O)c2cccc1c2cccc1S(O)(=O)=O.Clc1ccc(cc1)CC(=CCN2CCCC2)c3ccccc3.Clc3ccc(CC(=CCN1CCCC1)c2ccccc2)cc3


name: 2-[1-phenyl-2-(2,4,5-trimethoxyphenyl)vinyl]-2-oxazoline-4,4-dimethanol hydrochloride
cas: 93777-58-3
formula: C22H25NO6
inchikey: JWFYNHPJLQDORK-WPTDRQDKSA-N
norman_susdat_id: NS00065451
pubchem_cid: 44151309
smiles: Cl.OCC1(N=C(OC1)C(=CC2=CC(OC)=C(OC)C=C2OC)C=3C=CC=CC3)CO
inchi:
InChI=1/C22H25NO6.ClH/c1-26-18-11-20(28-3)19(27-2)10-16(18)9-17(15-7-5-4-6-8-15)21-23-22(12-24,13-25)14-29-21;/h4-11,24-25H,12-14H2,1-3H3;1H


cas: 93777-60-7
formula: C26H36N2O6
inchikey: CWFBJVXTLQLUQJ-UHFFFAOYSA-N
norman_susdat_id: NS00064234
pubchem_cid: NA
smiles: Cl.O=C(NCCN(CC)CC)C(=CC1=CC(OC)=C(OC)C(OC)=C1)C2=CC=C(OC)C(OC)=C2
name:
N-[2-(diethylamino)ethyl]-3,4-dimethoxy-a-[(3,4,5-trimethoxyphenyl)methylene]phenylacetamide monohydrochloride

inchi:
InChI=1/C26H36N2O6.ClH/c1-8-28(9-2)13-12-27-26(29)20(19-10-11-21(30-3)22(17-19)31-4)14-18-15-23(32-5)25(34-7)24(16-18)33-6;/h10-11,14-17H,8-9,12-13H2,1-7H3,(H,27,29);1H


cas: 93777-62-9
formula: C24H32N3O6
inchikey: XUPBHZSNESEJTQ-UHFFFAOYSA-N
norman_susdat_id: NS00064129
pubchem_cid: NA
smiles: Cl.O=C(NCCN(CC)CC)C(=CC1=CC(OC)=C(OC)C=C1OC)C2=CC=C(C=C2)[N+](=O)[O-]
name:
N-[2-(diethylamino)ethyl]-4-nitro-a-[(2,4,5-trimethoxyphenyl)methylene]phenylacetamide monohydrochloride

inchi:
InChI=1/C24H31N3O6.ClH/c1-6-26(7-2)13-12-25-24(28)20(17-8-10-19(11-9-17)27(29)30)14-18-15-22(32-4)23(33-5)16-21(18)31-3;/h8-11,14-16H,6-7,12-13H2,1-5H3,(H,25,28);1H


name: Tri(methyl)[a-methyl-10H-phenothiazin-10-ylethyl]ammonium salicylate
cas: 93777-63-0
formula: C18H23N2S.C7H5O3
inchikey: FGUWOHYABCCKOD-UHFFFAOYSA-M
norman_susdat_id: NS00092700
smiles: CC(N1c2ccccc2Sc3cccc(C)c13)[N+](C)(C)C.Oc4ccccc4C(=O)[O-]
inchi:
InChI=1/C18H23N2S.C7H6O3/c1-13-9-8-12-17-18(13)19(14(2)20(3,4)5)15-10-6-7-11-16(15)21-17;8-6-4-2-1-3-5(6)7(9)10/h6-12,14H,1-5H3;1-4,8H,(H,9,10)/q+1;/p-1


name: Tri(methyl)[a-methyl-10H-phenothiazin-10-ylethyl]ammonium toluene-p-sulphonate
cas: 93777-64-1
dtxsid: DTXSID40918054
formula: C18H23N2S
inchikey: XUHVHHPDKKRAAK-UHFFFAOYSA-M
norman_susdat_id: NS00064254
pubchem_cid: NA
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.S1C=2C=CC=CC2N(C=3C1=CC=CC3C)C(C)[N+](C)(C)C
inchi:
InChI=1/C18H23N2S.C7H8O3S/c1-13-9-8-12-17-18(13)19(14(2)20(3,4)5)15-10-6-7-11-16(15)21-17;1-6-2-4-7(5-3-6)11(8,9)10/h6-12,14H,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: N-[2-(diethylamino)ethyl]-a-[(2,4,5-trimethoxyphenyl)methylene]phenylacetamide monohydrochloride
cas: 93777-67-4
formula: C24H32N2O4
inchikey: WGYHILCUZAUZAB-UHFFFAOYSA-N
norman_susdat_id: NS00064725
pubchem_cid: NA
smiles: Cl.O=C(NCCN(CC)CC)C(=CC1=CC(OC)=C(OC)C=C1OC)C=2C=CC=CC2
inchi:
InChI=1/C24H32N2O4.ClH/c1-6-26(7-2)14-13-25-24(27)20(18-11-9-8-10-12-18)15-19-16-22(29-4)23(30-5)17-21(19)28-3;/h8-12,15-17H,6-7,13-14H2,1-5H3,(H,25,27);1H


cas: 93777-68-5
formula: C13H13Bi2Cl2N3O7S2
inchikey: YHAQFTGXAVBMJF-UHFFFAOYSA-H
norman_susdat_id: NS00092313
smiles: O[Bi](Cl)OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N([Bi](O)Cl)c2nccs2
name:
Chlorohydroxybismuthino 3-[N-[4-[[(chlorohydroxybismuthino)-2-thiazolylamino]sulphonyl]phenyl]carbamoyl]propionate

inchi:
InChI=1/C13H13N3O5S2.2Bi.2ClH.2H2O/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13;;;;;;/h1-4,7-8H,5-6H2,(H3,14,15,16,17,18,19);;;2*1H;2*1H2/q;2*+3;;;;/p-6/rC13H13Bi2Cl2N3O7S2/c16-14(23)20(13-18-7-8-28-13)29(25,26)10-3-1-9(2-4-10)19-11(21)5-6-12(22)27-15(17)24/h1-4,7-8,23-24H,5-6H2,(H,19,21)


name: Bis(2-hydroxyethyl)ammonium bis(2-hydroxyhexadecyl) phosphate
cas: 93777-69-6
formula: C32H67O6P.C4H11NO2
inchikey: CWUXVXMKHQNAOH-UHFFFAOYSA-N
norman_susdat_id: NS00092068
smiles: CCCCCCCCCCCCCCC(O)COP(=O)([O-])OCC(O)CCCCCCCCCCCCCC.OCC[NH2+]CCO
inchi:
InChI=1/C32H67O6P.C4H11NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(33)29-37-39(35,36)38-30-32(34)28-26-24-22-20-18-16-14-12-10-8-6-4-2;6-3-1-5-2-4-7/h31-34H,3-30H2,1-2H3,(H,35,36);5-7H,1-4H2


name: 2-hexyldecyl octanoate
cas: 93777-70-9
dtxsid: DTXSID00918050
formula: C24H48O2
inchikey: NNHMAUVBQAHWPH-UHFFFAOYSA-N
norman_susdat_id: NS00064281
pubchem_cid: 3022308
smiles: O=C(OCC(CCCCCC)CCCCCCCC)CCCCCCC
inchi:
InChI=1/C24H48O2/c1-4-7-10-13-15-17-20-23(19-16-12-9-6-3)22-26-24(25)21-18-14-11-8-5-2/h23H,4-22H2,1-3H3


name: 4-Octadecyl-o-cresol
cas: 93777-76-5
chemspiderid: 2288856
dtxsid: DTXSID20239618
formula: C25H44O1
inchikey: YZNQWZJMXAWHAO-UHFFFAOYSA-N
norman_susdat_id: NS00039605
pubchem_cid: 3022311
smiles: CCCCCCCCCCCCCCCCCCc1cc(C)c(O)cc1
inchi:
InChI=1S/C25H44O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21-25(26)23(2)22-24/h20-22,26H,3-19H2,1-2H3


name: 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid
cas: 93777-77-6
chemspiderid: 2288857
dtxsid: DTXSID80239619
formula: C16H22O3
inchikey: RMAAIZNPBRPHRL-UHFFFAOYSA-N
norman_susdat_id: NS00039606
pubchem_cid: 3022312
smiles: CC(C)(C)c1cc(cc(C2CCCC2)c1O)C(=O)O
inchi:
InChI=1S/C16H22O3/c1-16(2,3)13-9-11(15(18)19)8-12(14(13)17)10-6-4-5-7-10/h8-10,17H,4-7H2,1-3H3,(H,18,19)


name: 1,1,3-trimethyl-6-(1,1,3,3-tetramethylbutyl)indan-5-ol
cas: 93777-78-7
dtxsid: DTXSID10918046
formula: C20H32O
inchikey: VCGAWURZAAIEEA-UHFFFAOYSA-N
norman_susdat_id: NS00064154
pubchem_cid: 3022313
smiles: OC=1C=C2C(=CC1C(C)(C)CC(C)(C)C)C(C)(C)CC2C
inchi:
InChI=1/C20H32O/c1-13-11-19(5,6)15-10-16(17(21)9-14(13)15)20(7,8)12-18(2,3)4/h9-10,13,21H,11-12H2,1-8H3


name: N,N,N-trimethyl-4-[[(methylamino)carbonyl]amino]anilinium methyl sulphate
cas: 93777-80-1
dtxsid: DTXSID50918045
formula: C11H18N3O
inchikey: ATLFGTVSHHUATK-UHFFFAOYSA-N
norman_susdat_id: NS00064155
pubchem_cid: 5744121
smiles: O=C(NC1=CC=C(C=C1)[N+](C)(C)C)NC.O=S(=O)([O-])OC
inchi:
InChI=1/C11H17N3O.CH4O4S/c1-12-11(15)13-9-5-7-10(8-6-9)14(2,3)4;1-5-6(2,3)4/h5-8H,1-4H3,(H-,12,13,15);1H3,(H,2,3,4)


name: 4-[[(dimethylamino)carbonyl]amino]-N,N,N-trimethylanilinium methyl sulphate
cas: 93777-82-3
dtxsid: DTXSID90918044
formula: C12H20N3O
inchikey: RXGFGENDRAXFPL-UHFFFAOYSA-N
norman_susdat_id: NS00064282
pubchem_cid: 5744123
smiles: O=C(NC1=CC=C(C=C1)[N+](C)(C)C)N(C)C.O=S(=O)([O-])OC
inchi:
InChI=1/C12H19N3O.CH4O4S/c1-14(2)12(16)13-10-6-8-11(9-7-10)15(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)


name: 4-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]-N,N,N-trimethylanilinium methyl sulphate
cas: 93777-84-5
dtxsid: DTXSID30918043
formula: C16H18Cl2N3O
inchikey: WXQQPYXFJSTNRG-UHFFFAOYSA-N
norman_susdat_id: NS00064283
pubchem_cid: 5744126
smiles: O=C(NC1=CC=C(C=C1)[N+](C)(C)C)NC2=CC=C(Cl)C(Cl)=C2.O=S(=O)([O-])OC
inchi:
InChI=1/C16H17Cl2N3O.CH4O4S/c1-21(2,3)13-7-4-11(5-8-13)19-16(22)20-12-6-9-14(17)15(18)10-12;1-5-6(2,3)4/h4-10H,1-3H3,(H-,19,20,22);1H3,(H,2,3,4)


name: Methyl N,N,N-trimethyl-4-[(1-methylpyrrolidin-2-ylidene)amino]anilinium sulphate
cas: 93777-86-7
formula: C14H22N3
inchikey: XQHPORJVCXVFKO-UHFFFAOYSA-M
norman_susdat_id: NS00064174
pubchem_cid: 20833808
smiles: O=S(=O)([O-])OC.N(C1=CC=C(C=C1)[N+](C)(C)C)=C2N(C)CCC2
inchi:
InChI=1/C14H22N3.CH4O4S/c1-16-11-5-6-14(16)15-12-7-9-13(10-8-12)17(2,3)4;1-5-6(2,3)4/h7-10H,5-6,11H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: 2-hexadecylicosyl oleate
cas: 93777-88-9
formula: C54H106O2
inchikey: JRXHSDMMMFZNFC-WCTVFOPTSA-N
norman_susdat_id: NS00064284
pubchem_cid: 6433004
smiles: O=C(OCC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C54H106O2/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53(49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)52-56-54(55)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26,29,53H,4-25,27-28,30-52H2,1-3H3


name: 3-[tris(decyloxy)silyl]propanethiol
cas: 93777-94-7
dtxsid: DTXSID50239621
formula: C33H70O3SSi
inchikey: HVRSHMWSWKQNCA-UHFFFAOYSA-N
norman_susdat_id: NS00064175
pubchem_cid: 3022318
smiles: SCCC[Si](OCCCCCCCCCC)(OCCCCCCCCCC)OCCCCCCCCCC
inchi:
InChI=1/C33H70O3SSi/c1-4-7-10-13-16-19-22-25-29-34-38(33-28-32-37,35-30-26-23-20-17-14-11-8-5-2)36-31-27-24-21-18-15-12-9-6-3/h37H,4-33H2,1-3H3


cas: 93777-95-8
dtxsid: DTXSID40918039
formula: C32H70O13Si3
inchikey: MSYDZFMZKHKNRI-UHFFFAOYSA-N
norman_susdat_id: NS00064306
pubchem_cid: 44147182
smiles: O(CC=C)C(OCCC[Si](OCC)(OCC)OCC)C(OCCC[Si](OCC)(OCC)OCC)OCCC[Si](OCC)(OCC)OCC
name:
9-(allyloxy)-4,4,15,15-tetraethoxy-10-[3-(triethoxysilyl)propoxy]-3,8,11,16-tetraoxa-4,15-disilaoctadecane

inchi:
InChI=1/C32H70O13Si3/c1-11-24-33-31(34-25-21-28-46(37-12-2,38-13-3)39-14-4)32(35-26-22-29-47(40-15-5,41-16-6)42-17-7)36-27-23-30-48(43-18-8,44-19-9)45-20-10/h11,31-32H,1,12-30H2,2-10H3


name: 9,10-bis(allyloxy)-4,4,15,15-tetraethoxy-3,8,11,16-tetraoxa-4,15-disilaoctadecane
cas: 93777-96-9
dtxsid: DTXSID80918038
formula: C26H54O10Si2
inchikey: KLHROCZYYTYLDS-UHFFFAOYSA-N
norman_susdat_id: NS00064176
pubchem_cid: 44147777
smiles: O(CC=C)C(OCCC[Si](OCC)(OCC)OCC)C(OCC=C)OCCC[Si](OCC)(OCC)OCC
inchi:
InChI=1/C26H54O10Si2/c1-9-19-27-25(29-21-17-23-37(31-11-3,32-12-4)33-13-5)26(28-20-10-2)30-22-18-24-38(34-14-6,35-15-7)36-16-8/h9-10,25-26H,1-2,11-24H2,3-8H3


name: 9-[di(allyloxy)methyl]-4,4,14,14-tetraethoxy-3,8,10,15-tetraoxa-4,14-disilaheptadecane
cas: 93777-97-0
dtxsid: DTXSID20918037
formula: C26H54O10Si2
inchikey: JGYDFIZRHREKJO-UHFFFAOYSA-N
norman_susdat_id: NS00064745
pubchem_cid: 44151718
smiles: O(CC=C)C(OCC=C)C(OCCC[Si](OCC)(OCC)OCC)OCCC[Si](OCC)(OCC)OCC
inchi:
InChI=1/C26H54O10Si2/c1-9-19-27-25(28-20-10-2)26(29-21-17-23-37(31-11-3,32-12-4)33-13-5)30-22-18-24-38(34-14-6,35-15-7)36-16-8/h9-10,25-26H,1-2,11-24H2,3-8H3


name: N,N'-dicyclohexyl-1-methyl-N''-(1-methylpropyl)silanetriamine
cas: 93777-99-2
dtxsid: DTXSID60918036
formula: C17H37N3Si
inchikey: YXKAXAHFOHIXQU-UHFFFAOYSA-N
norman_susdat_id: NS00065473
pubchem_cid: 16205772
smiles: N(C(C)CC)[Si](NC1CCCCC1)(NC2CCCCC2)C
inchi:
InChI=1/C17H37N3Si/c1-4-15(2)18-21(3,19-16-11-7-5-8-12-16)20-17-13-9-6-10-14-17/h15-20H,4-14H2,1-3H3


cas: 93778-03-1
formula: C44H52N12O16S4
inchikey: SOLSIVAJVPUOIP-MOSUJMLHSA-J
norman_susdat_id: NS00064307
pubchem_cid: NA
name:
Tetrasodium 4,4'-bis[[4-[bis(2-hydroxypropyl)amino]-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C44H52N12O16S4.4Na/c1-25(57)21-55(22-26(2)58)43-51-39(45-31-7-5-9-35(17-31)73(61,62)63)49-41(53-43)47-33-15-13-29(37(19-33)75(67,68)69)11-12-30-14-16-34(20-38(30)76(70,71)72)48-42-50-40(46-32-8-6-10-36(18-32)74(64,65)66)52-44(54-42)56(23-27(3)59)24-28(4)60;;;;/h5-20,25-28,57-60H,21-24H2,1-4H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)NC=2N=C(N=C(N2)N(CC(O)C)CC(O)C)NC3=CC=C(C=CC4=CC=C(C=C4S(=O)(=O)[O-])NC5=NC(=NC(=N5)N(CC(O)C)CC(O)C)NC6=CC=CC(=C6)S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-]


name: 4-((4-Amino-3-ethyl-5-methylphenyl)methyl)-2-((4-aminophenyl)methyl)aniline
cas: 93778-04-2
chemspiderid: 2288862
dtxsid: DTXSID10239622
formula: C23H27N3
inchikey: ORSCJOCWFIZUPQ-UHFFFAOYSA-N
norman_susdat_id: NS00039608
pubchem_cid: 3022319
smiles: CCc1c(N)c(C)cc(Cc2cc(Cc3ccc(N)cc3)c(N)cc2)c1
inchi:
InChI=1S/C23H27N3/c1-3-19-14-18(10-15(2)23(19)26)11-17-6-9-22(25)20(13-17)12-16-4-7-21(24)8-5-16/h4-10,13-14H,3,11-12,24-26H2,1-2H3


name: 2-((4-Amino-3-ethyl-5-methylphenyl)methyl)-4-((4-aminophenyl)methyl)aniline
cas: 93778-05-3
chemspiderid: 2288863
dtxsid: DTXSID70239623
formula: C23H27N3
inchikey: VLTOJJNAVJHSOQ-UHFFFAOYSA-N
norman_susdat_id: NS00039609
pubchem_cid: 3022320
smiles: CCc1c(N)c(C)cc(Cc2c(N)ccc(Cc3ccc(N)cc3)c2)c1
inchi:
InChI=1S/C23H27N3/c1-3-19-13-18(10-15(2)23(19)26)14-20-12-17(6-9-22(20)25)11-16-4-7-21(24)8-5-16/h4-10,12-13H,3,11,14,24-26H2,1-2H3


name: 1-[[1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]carbonyl]piperazine
cas: 93778-14-4
dtxsid: DTXSID90918029
formula: C17H23N3O3
inchikey: XLMRKHPACLFOLT-UHFFFAOYSA-N
norman_susdat_id: NS00064765
pubchem_cid: 217129
smiles: O=C1N(C2=CC=C(OCC)C=C2)CC(C(=O)N3CCNCC3)C1
inchi:
InChI=1/C17H23N3O3/c1-2-23-15-5-3-14(4-6-15)20-12-13(11-16(20)21)17(22)19-9-7-18-8-10-19/h3-6,13,18H,2,7-12H2,1H3


name: Bis[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]methylammonium] sulphate
cas: 93778-16-6
formula: C9H11NO3.1/2H2O4S
inchikey: RDJANFDMGBFNOM-UHFFFAOYSA-N
norman_susdat_id: NS00092332
smiles: C[NH2+]CC(=O)c1ccc(O)c(O)c1.C[NH2+]CC(=O)c2ccc(O)c(O)c2.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C9H11NO3.H2O4S/c2*1-10-5-9(13)6-2-3-7(11)8(12)4-6;1-5(2,3)4/h2*2-4,10-12H,5H2,1H3;(H2,1,2,3,4)


name: N-(5-(Methylsulphonyl)-2-((2-nitrophenyl)thio)phenyl)formamide
cas: 93778-18-8
chemspiderid: 2288869
dtxsid: DTXSID10239627
formula: C14H12N2O5S2
inchikey: YTQRRMOEFNDDTC-UHFFFAOYSA-N
norman_susdat_id: NS00039612
pubchem_cid: 3022326
smiles: CS(=O)(=O)c1cc(NC=O)c(Sc2c(cccc2)[N+](=O)[O-])cc1
inchi:
InChI=1S/C14H12N2O5S2/c1-23(20,21)10-6-7-13(11(8-10)15-9-17)22-14-5-3-2-4-12(14)16(18)19/h2-9H,1H3,(H,15,17)


name: Pentasodium 2-[bis[4-(phosphonatooxy)phenyl]methyl]benzoate
cas: 93778-24-6
dtxsid: DTXSID40239630
formula: C20H18O10P2
inchikey: IUXMHTHXRKRLTE-UHFFFAOYSA-I
norman_susdat_id: NS00064767
pubchem_cid: 11971123
inchi:
InChI=1/C20H18O10P2.5Na/c21-20(22)18-4-2-1-3-17(18)19(13-5-9-15(10-6-13)29-31(23,24)25)14-7-11-16(12-8-14)30-32(26,27)28;;;;;/h1-12,19H,(H,21,22)(H2,23,24,25)(H2,26,27,28);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=C([O-])C=1C=CC=CC1C(C2=CC=C(OP(=O)([O-])[O-])C=C2)C3=CC=C(OP(=O)([O-])[O-])C=C3


name: 2-tetradecyloctadecyl octanoate
cas: 93778-26-8
dtxsid: DTXSID10918021
formula: C40H80O2
inchikey: AYXOLCSDTLRHLJ-UHFFFAOYSA-N
norman_susdat_id: NS00064768
pubchem_cid: 3022330
smiles: O=C(OCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)CCCCCCC
inchi:
InChI=1/C40H80O2/c1-4-7-10-13-15-17-19-21-22-24-26-28-31-33-36-39(38-42-40(41)37-34-29-12-9-6-3)35-32-30-27-25-23-20-18-16-14-11-8-5-2/h39H,4-38H2,1-3H3


name: 4,4,15,15-tetraethoxy-9,10-bis[3-(triethoxysilyl)propoxy]-3,8,11,16-tetraoxa-4,15-disilaoctadecane
cas: 93778-28-0
dtxsid: DTXSID50918020
formula: C38H86O16Si4
inchikey: ZFGKRUSODAXGST-UHFFFAOYSA-N
norman_susdat_id: NS00064214
pubchem_cid: 44147781
smiles: O(CCC[Si](OCC)(OCC)OCC)C(OCCC[Si](OCC)(OCC)OCC)C(OCCC[Si](OCC)(OCC)OCC)OCCC[Si](OCC)(OCC)OCC
inchi:
InChI=1/C38H86O16Si4/c1-13-43-55(44-14-2,45-15-3)33-25-29-39-37(40-30-26-34-56(46-16-4,47-17-5)48-18-6)38(41-31-27-35-57(49-19-7,50-20-8)51-21-9)42-32-28-36-58(52-22-10,53-23-11)54-24-12/h37-38H,13-36H2,1-12H3


name: L-arginine maleate
cas: 93778-36-0
formula: C6H14N4O2.C4H4O4
inchikey: VNFMIHBKZKZIQO-HSBCLPKZSA-N
norman_susdat_id: NS00092343
smiles: N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C6H14N4O2.C4H4O4/c7-4(5(11)12)2-1-3-10-6(8)9;5-3(6)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-2H,(H,5,6)(H,7,8)


name: L-arginine mono(a-oxobenzenepropionate)
cas: 93778-38-2
formula: C9H8O3.C6H14N4O2
inchikey: USJFALXYHGORGC-VWMHFEHESA-N
norman_susdat_id: NS00092096
smiles: N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)C(=O)Cc1ccccc1
inchi:
InChI=1/C9H8O3.C6H14N4O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-4(5(11)12)2-1-3-10-6(8)9/h1-5H,6H2,(H,11,12);4H,1-3,7H2,(H,11,12)(H4,8,9,10)


name: L-aspartic acid, compound with 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)
cas: 93778-39-3
formula: C8H11NO3.C4H7NO4
inchikey: GZIJVBKRKQPECN-WNQIDUERSA-N
norman_susdat_id: NS00092344
smiles: Cc1ncc(CO)c(CO)c1O.N[C@@H](CC(=O)O)C(=O)O
inchi:
InChI=1/C8H11NO3.C4H7NO4/c1-5-8(12)7(4-11)6(3-10)2-9-5;5-2(4(8)9)1-3(6)7/h2,10-12H,3-4H2,1H3;2H,1,5H2,(H,6,7)(H,8,9)


name: Betaine D-galacturonate
cas: 93778-40-6
formula: C6H9O7.C5H12NO2
inchikey: NTRGSJJAAMSXHU-RMTXHFLUSA-M
norman_susdat_id: NS00092345
smiles: C[N+](C)(C)CC(=O)[O-].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]
inchi:
InChI=1/C6H10O7.C5H11NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;1-6(2,3)4-5(7)8/h1-5,8-11H,(H,12,13);4H2,1-3H3/p-1


name: 2-hydroxytetracosyl 12-hydroxyoctadecanoate
cas: 93778-45-1
dtxsid: DTXSID00918010
formula: C42H84O4
inchikey: AZHGNMQXHATDEK-UHFFFAOYSA-N
norman_susdat_id: NS00064215
pubchem_cid: 3022335
smiles: O=C(OCC(O)CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCC(O)CCCCCC
inchi:
InChI=1/C42H84O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-33-37-41(44)39-46-42(45)38-34-30-27-24-23-25-28-32-36-40(43)35-31-8-6-4-2/h40-41,43-44H,3-39H2,1-2H3


name: N-(3-(Bis(3-phenylpropyl)amino)phenyl)acetamide
cas: 93778-46-2
chemspiderid: 2288878
dtxsid: DTXSID40239635
formula: C26H30N2O1
inchikey: RGTILWBSOZQZFU-UHFFFAOYSA-N
norman_susdat_id: NS00039616
pubchem_cid: 3022336
smiles: CC(=O)Nc1cc(ccc1)N(CCCc1ccccc1)CCCc1ccccc1
inchi:
InChI=1S/C26H30N2O/c1-22(29)27-25-17-8-18-26(21-25)28(19-9-15-23-11-4-2-5-12-23)20-10-16-24-13-6-3-7-14-24/h2-8,11-14,17-18,21H,9-10,15-16,19-20H2,1H3,(H,27,29)


name: 4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol
cas: 93778-47-3
dtxsid: DTXSID90918009
formula: C14H14N2O4
inchikey: NABHKBGZIKOEJG-UHFFFAOYSA-N
norman_susdat_id: NS00064216
pubchem_cid: 3022337
smiles: OC1=CC=C(N)C2=C1C(O)C=3C(N)=CC=C(O)C3C2O
inchi:
InChI=1/C14H14N2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,13-14,17-20H,15-16H2


name: 4-amino-9,10-dihydro-8-(methylamino)anthracene-1,5,9,10-tetrol
cas: 93778-48-4
dtxsid: DTXSID30918008
formula: C15H16N2O4
inchikey: VADNTLNWICTOOR-UHFFFAOYSA-N
norman_susdat_id: NS00064217
pubchem_cid: 3022338
smiles: OC1=CC=C(N)C2=C1C(O)C=3C(=CC=C(O)C3C2O)NC
inchi:
InChI=1/C15H16N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)12-8(18)4-2-6(16)10(12)14(13)20/h2-5,14-15,17-21H,16H2,1H3


cas: 93778-49-5
formula: C17H13ClN4O5S
inchikey: OWWLDYMLENILKR-UHFFFAOYSA-N
norman_susdat_id: NS00092346
smiles: OS(=O)(=O)c1ccc(Cl)c(c1)N3/N=C(/C)C(N=Nc2cc(C=O)ccc2)C3=O
name:
4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C17H13ClN4O5S/c1-10-16(20-19-12-4-2-3-11(7-12)9-23)17(24)22(21-10)15-8-13(28(25,26)27)5-6-14(15)18/h2-9,16H,1H3,(H,25,26,27)


cas: 93778-50-8
formula: C26H18Cl3N9O12S3.3Na
inchikey: MFAZCIICUPWTEK-UHFFFAOYSA-K
norman_susdat_id: NS00092347
name:
Trisodium hydrogen 2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphonatobenzoate

inchi:
InChI=1/C26H18Cl3N9O12S3.3Na.H2/c1-10-21(22(39)38(37-10)18-8-15(28)20(9-14(18)27)53(48,49)50)36-35-17-6-11(2-5-19(17)52(45,46)47)30-25-32-24(29)33-26(34-25)31-16-4-3-12(51(42,43)44)7-13(16)23(40)41;;;;/h2-9,21H,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,30,31,32,33,34);;;;1H/q;4*+1/p-4

smiles:
[H+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccc(Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O)c(c5)C([O-])=O


cas: 93778-51-9
formula: C31H24FN7O10S3
inchikey: QKYFSRKMWXEBDB-UHFFFAOYSA-N
norman_susdat_id: NS00064790
pubchem_cid: 135730724
name:
2-[[6-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid

inchi:
InChI=1/C31H24FN7O10S3/c1-2-39(19-7-4-3-5-8-19)31-35-29(32)34-30(36-31)33-18-11-12-20-17(15-18)16-25(51(44,45)46)26(27(20)40)38-37-23-14-13-21-22(28(23)52(47,48)49)9-6-10-24(21)50(41,42)43/h3-16,40H,2H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36)

smiles:
O=S(=O)(O)C1=CC=CC=2C1=CC=C(N=NC=3C(O)=C4C=CC(=CC4=CC3S(=O)(=O)O)NC5=NC(F)=NC(=N5)N(C=6C=CC=CC6)CC)C2S(=O)(=O)O


name: 2-decyltetradecanoic acid
cas: 93778-52-0
dtxsid: DTXSID40888723
formula: C24H48O2
inchikey: OYXVDHZABMXCMX-UHFFFAOYSA-N
norman_susdat_id: NS00064218
pubchem_cid: 175556
smiles: O=C(O)C(CCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/C24H48O2/c1-3-5-7-9-11-13-14-16-18-20-22-23(24(25)26)21-19-17-15-12-10-8-6-4-2/h23H,3-22H2,1-2H3,(H,25,26)


name: 8,8-didodecyl-1,4-dioxa-7,9-dithia-8-stannacycloundecane-5,11-dione
cas: 93778-53-1
formula: C30H58O4S2Sn
inchikey: OGNXWEIEJAABBN-UHFFFAOYSA-L
norman_susdat_id: NS00064219
pubchem_cid: NA
smiles: O=C1OCCOC(=O)CS[Sn](SC1)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C12H25.C6H10O4S2.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;7-5(3-11)9-1-2-10-6(8)4-12;/h2*1,3-12H2,2H3;11-12H,1-4H2;/q;;;+2/p-2/rC30H58O4S2Sn/c1-3-5-7-9-11-13-15-17-19-21-25-37(26-22-20-18-16-14-12-10-8-6-4-2)35-27-29(31)33-23-24-34-30(32)28-36-37/h3-28H2,1-2H3


name: 2'-deoxyinosine 3'-benzoate
cas: 93778-58-6
dtxsid: DTXSID10918006
formula: C17H16N4O5
inchikey: RZQPZGXOKJLURQ-YNEHKIRRSA-N
norman_susdat_id: NS00064237
pubchem_cid: NA
smiles: O=C(OC1CC(OC1CO)N2C=NC=3C(O)=NC=NC32)C=4C=CC=CC4
inchi:
InChI=1/C17H16N4O5/c22-7-12-11(26-17(24)10-4-2-1-3-5-10)6-13(25-12)21-9-20-14-15(21)18-8-19-16(14)23/h1-5,8-9,11-13,22H,6-7H2,(H,18,19,23)


name: 1-[3-[bicyclo[2.2.1]hept-5-en-2-yl]-3-oxopropyl]piperidinium hydrogen oxalate
cas: 93778-72-4
formula: C15H23NO.C2H2O4
inchikey: DBNZFHIBCZETBL-UHFFFAOYSA-M
norman_susdat_id: NS00092738
smiles: [O-]C(=O)C(=O)[O-].O=C(CC[NH+]1CCCCC1)C2CC3CC2C=C3
inchi:
InChI=1/C15H23NO.C2H2O4/c17-15(6-9-16-7-2-1-3-8-16)14-11-12-4-5-13(14)10-12;3-1(4)2(5)6/h4-5,12-14H,1-3,6-11H2;(H,3,4)(H,5,6)/p-1


name: N-[3-(dodecylamino)propyl]glycine hydrochloride
cas: 93778-80-4
formula: C17H36N2O2.xClH
inchikey: FMJIRTGWWDILFD-UHFFFAOYSA-N
norman_susdat_id: NS00092045
smiles: Cl.CCCCCCCCCCCCNCCCNCC(=O)O
inchi:
InChI=1/C17H36N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19-16-17(20)21;/h18-19H,2-16H2,1H3,(H,20,21);1H


name: 8-(phenylamino)-5-[[4-[(6-sulpho-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1-sulphonic acid
cas: 93783-11-0
formula: C36H25N5O6S2
inchikey: DVJDKOUANARNLS-UHFFFAOYSA-N
norman_susdat_id: NS00092765
smiles: OS(=O)(=O)c1ccc7c(c1)cccc7N=Nc6ccc(N=Nc4ccc(Nc2ccccc2)c3c(cccc34)S(O)(=O)=O)c5ccccc56
inchi:
InChI=1/C36H25N5O6S2/c42-48(43,44)25-16-17-26-23(22-25)8-6-14-30(26)38-39-31-18-19-32(28-12-5-4-11-27(28)31)40-41-33-20-21-34(37-24-9-2-1-3-10-24)36-29(33)13-7-15-35(36)49(45,46)47/h1-22,37H,(H,42,43,44)(H,45,46,47)


cas: 93783-12-1
formula: C36H25N5O6S2
inchikey: HCGXUDSLCQMJSF-UHFFFAOYSA-L
norman_susdat_id: NS00064791
pubchem_cid: 11971127
name:
Disodium 8-(phenylamino)-5-[[4-[(6-sulphonato-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1-sulphonate

inchi:
InChI=1/C36H25N5O6S2.2Na/c42-48(43,44)25-16-17-26-23(22-25)8-6-14-30(26)38-39-31-18-19-32(28-12-5-4-11-27(28)31)40-41-33-20-21-34(37-24-9-2-1-3-10-24)36-29(33)13-7-15-35(36)49(45,46)47;;/h1-22,37H,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC3=CC=C(N=NC=4C=CC(NC=5C=CC=CC5)=C6C4C=CC=C6S(=O)(=O)[O-])C=7C=CC=CC37)=CC=CC2C1


cas: 93783-13-2
dtxsid: DTXSID00917982
formula: C36H47N5O4
inchikey: WCIDAKUHZNYJGA-UHFFFAOYSA-N
norman_susdat_id: NS00064358
pubchem_cid: 3022350
smiles: N#CC1=CC=C(C=C1)NC(=O)NC=2C=C(N)C(=CC2O)NC(=O)C(OC3=CC=C(C=C3C(C)(C)CC)C(C)(C)CC)CCCC
name:
N-[2-amino-4-[[[(4-cyanophenyl)amino]carbonyl]amino]-5-hydroxyphenyl]-2-[2,4-bis(1,1-dimethylpropyl)phenoxy]hexanamide

inchi:
InChI=1/C36H47N5O4/c1-8-11-12-32(45-31-18-15-24(35(4,5)9-2)19-26(31)36(6,7)10-3)33(43)40-28-21-30(42)29(20-27(28)38)41-34(44)39-25-16-13-23(22-37)14-17-25/h13-21,32,42H,8-12,38H2,1-7H3,(H,40,43)(H2,39,41,44)


name: N-(1,4-Dihydroxy-2-naphthyl)benzamide
cas: 93783-14-3
chemspiderid: 2288890
dtxsid: DTXSID80239639
formula: C17H13N1O3
inchikey: DSMSXTOKFFSPRF-UHFFFAOYSA-N
norman_susdat_id: NS00039618
pubchem_cid: 3022351
smiles: Oc1cc(NC(=O)c2ccccc2)c(O)c2ccccc12
inchi:
InChI=1S/C17H13NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10,19-20H,(H,18,21)


cas: 93783-17-6
formula: C42H50N6O4
inchikey: IIVBRLPTAIRAFA-UHFFFAOYSA-N
norman_susdat_id: NS00065282
pubchem_cid: 3022354
smiles: N#CC1=CC=C(C=C1)NC(=O)NC=2C=C(N=NC=3C=CC=CC3)C(=CC2O)NC(=O)C(OC4=CC=C(C=C4C(C)(C)CC)C(C)(C)CC)CCCC
name:
2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-5-hydroxy-2-(phenylazo)phenyl]hexanamide

inchi:
InChI=1/C42H50N6O4/c1-8-11-17-38(52-37-23-20-29(41(4,5)9-2)24-32(37)42(6,7)10-3)39(50)45-33-26-36(49)35(25-34(33)48-47-31-15-13-12-14-16-31)46-40(51)44-30-21-18-28(27-43)19-22-30/h12-16,18-26,38,49H,8-11,17H2,1-7H3,(H,45,50)(H2,44,46,51)


cas: 93783-18-7
dtxsid: DTXSID40917981
formula: C44H54N4O6
inchikey: LBNAYSTUYDHVSD-UHFFFAOYSA-N
norman_susdat_id: NS00064147
pubchem_cid: 3022355
smiles: N#CC1=CC=C(C=C1)NC(=O)NC=2C=C(OCCOC=3C=CC=CC3)C(=CC2O)NC(=O)C(OC4=CC=C(C=C4C(C)(C)CC)C(C)(C)CC)CCCC
name:
2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-5-hydroxy-2-(2-phenoxyethoxy)phenyl]hexanamide

inchi:
InChI=1/C44H54N4O6/c1-8-11-17-39(54-38-23-20-31(43(4,5)9-2)26-34(38)44(6,7)10-3)41(50)47-36-27-37(49)35(48-42(51)46-32-21-18-30(29-45)19-22-32)28-40(36)53-25-24-52-33-15-13-12-14-16-33/h12-16,18-23,26-28,39,49H,8-11,17,24-25H2,1-7H3,(H,47,50)(H2,46,48,51)


name: 4,5-dihydro-1,3-bis(2-hydroxyethyl)-2-pentadecyl-1H-imidazolium chloride
cas: 93783-20-1
dtxsid: DTXSID80917980
formula: C22H46N2O2
inchikey: GDFNUHCWRHVUNH-UHFFFAOYSA-N
norman_susdat_id: NS00064148
pubchem_cid: 3022356
smiles: [Cl-].OCCN1CC[NH+](CCO)C1CCCCCCCCCCCCCCC
inchi:
InChI=1/C22H46N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-23(18-20-25)16-17-24(22)19-21-26;/h22,25-26H,2-21H2,1H3;1H


name: 1-ethyl-2-heptadecyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate
cas: 93783-21-2
dtxsid: DTXSID70917979
formula: C24H50N2O
inchikey: XZANPOPYDHTIJZ-UHFFFAOYSA-N
norman_susdat_id: NS00064170
pubchem_cid: 57356058
smiles: O=S(=O)([O-])OCC.OCCN1CC[NH+](CC)C1CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H50N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27;1-2-6-7(3,4)5/h24,27H,3-23H2,1-2H3;2H2,1H3,(H,3,4,5)


name: 1-ethyl-4,5-dihydro-3-(2-hydroxyethyl)-2-pentadecyl-1H-imidazolium ethyl sulphate
cas: 93783-23-4
dtxsid: DTXSID10917978
formula: C22H46N2O
inchikey: FFSOGIOQMRQOTF-UHFFFAOYSA-N
norman_susdat_id: NS00063994
pubchem_cid: 57356060
smiles: O=S(=O)([O-])OCC.OCCN1CC[NH+](CC)C1CCCCCCCCCCCCCCC
inchi:
InChI=1/C22H46N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23(4-2)18-19-24(22)20-21-25;1-2-6-7(3,4)5/h22,25H,3-21H2,1-2H3;2H2,1H3,(H,3,4,5)


name: 1-(2-aminoethyl)-2-heptadecyl-4,5-dihydro-3-methyl-1H-imidazolium methyl sulphate
cas: 93783-25-6
dtxsid: DTXSID50917977
formula: C23H49N3
inchikey: IZVBWEGNOAOBMC-UHFFFAOYSA-N
norman_susdat_id: NS00064507
pubchem_cid: 57356062
smiles: O=S(=O)([O-])OC.NCC[NH+]1CCN(C)C1CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H49N3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-25(2)21-22-26(23)20-19-24;1-5-6(2,3)4/h23H,3-22,24H2,1-2H3;1H3,(H,2,3,4)


name: 1-(2-aminoethyl)-4,5-dihydro-3-methyl-2-pentadecyl-1H-imidazolium methyl sulphate
cas: 93783-29-0
dtxsid: DTXSID30917975
formula: C21H45N3
inchikey: UPAMTTLKRSAJOD-UHFFFAOYSA-N
norman_susdat_id: NS00064508
pubchem_cid: 57356064
smiles: O=S(=O)([O-])OC.NCC[NH+]1CCN(C)C1CCCCCCCCCCCCCCC
inchi:
InChI=1/C21H45N3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-23(2)19-20-24(21)18-17-22;1-5-6(2,3)4/h21H,3-20,22H2,1-2H3;1H3,(H,2,3,4)


name: 2-henicosyl-4,5-dihydro-1-(2-hydroxyethyl)-3-methyl-1H-imidazolium methyl sulphate
cas: 93783-31-4
dtxsid: DTXSID70917974
formula: C27H56N2O
inchikey: IOEAICBWMPXAQD-UHFFFAOYSA-N
norman_susdat_id: NS00064171
pubchem_cid: 57356066
smiles: O=S(=O)([O-])OC.OCC[NH+]1CCN(C)C1CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C27H56N2O.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-28(2)23-24-29(27)25-26-30;1-5-6(2,3)4/h27,30H,3-26H2,1-2H3;1H3,(H,2,3,4)


name: 4,5-dihydro-1-(2-hydroxyethyl)-3-methyl-2-undecyl-1H-imidazolium methyl sulphate
cas: 93783-33-6
dtxsid: DTXSID10917973
formula: C17H36N2O
inchikey: DGDMDCVSYPMMRZ-UHFFFAOYSA-N
norman_susdat_id: NS00063995
pubchem_cid: 57356068
smiles: O=S(=O)([O-])OC.OCC[NH+]1CCN(C)C1CCCCCCCCCCC
inchi:
InChI=1/C17H36N2O.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-17-18(2)13-14-19(17)15-16-20;1-5-6(2,3)4/h17,20H,3-16H2,1-2H3;1H3,(H,2,3,4)


name: 1-(2-aminoethyl)-2-henicosyl-4,5-dihydro-3-methyl-1H-imidazolium methyl sulphate
cas: 93783-35-8
dtxsid: DTXSID50917972
formula: C27H57N3
inchikey: UCUYODDPBKQZFR-UHFFFAOYSA-N
norman_susdat_id: NS00065334
pubchem_cid: 57356070
smiles: O=S(=O)([O-])OC.NCC[NH+]1CCN(C)C1CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C27H57N3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-29(2)25-26-30(27)24-23-28;1-5-6(2,3)4/h27H,3-26,28H2,1-2H3;1H3,(H,2,3,4)


name: 1-(2-aminoethyl)-4,5-dihydro-3-methyl-2-undecyl-1H-imidazolium methyl sulphate
cas: 93783-37-0
dtxsid: DTXSID90917971
formula: C17H37N3
inchikey: PHCTZPYHKUCEAE-UHFFFAOYSA-N
norman_susdat_id: NS00063996
pubchem_cid: 57356072
smiles: O=S(=O)([O-])OC.NCC[NH+]1CCN(C)C1CCCCCCCCCCC
inchi:
InChI=1/C17H37N3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-17-19(2)15-16-20(17)14-13-18;1-5-6(2,3)4/h17H,3-16,18H2,1-2H3;1H3,(H,2,3,4)


name: 1-(2-aminoethyl)-3-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazolium ethyl sulphate
cas: 93783-41-6
dtxsid: DTXSID20917969
formula: C24H51N3
inchikey: VCLDENADWOLBDO-UHFFFAOYSA-N
norman_susdat_id: NS00065335
pubchem_cid: 57356074
smiles: O=S(=O)([O-])OCC.NCC[NH+]1CCN(CC)C1CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H51N3.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-26(4-2)22-23-27(24)21-20-25;1-2-6-7(3,4)5/h24H,3-23,25H2,1-2H3;2H2,1H3,(H,3,4,5)


name: 1-(2-aminoethyl)-3-ethyl-2-henicosyl-4,5-dihydro-1H-imidazolium ethyl sulphate
cas: 93783-44-9
dtxsid: DTXSID00917967
formula: C28H59N3
inchikey: MASFOIBIOQSKAX-UHFFFAOYSA-N
norman_susdat_id: NS00063997
pubchem_cid: 57356076
smiles: O=S(=O)([O-])OCC.NCC[NH+]1CCN(CC)C1CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H59N3.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-30(4-2)26-27-31(28)25-24-29;1-2-6-7(3,4)5/h28H,3-27,29H2,1-2H3;2H2,1H3,(H,3,4,5)


name: 1-(2-aminoethyl)-3-ethyl-4,5-dihydro-2-undecyl-1H-imidazolium ethyl sulphate
cas: 93783-46-1
dtxsid: DTXSID40917966
formula: C18H39N3
inchikey: TXZUIJVOIARQDX-UHFFFAOYSA-N
norman_susdat_id: NS00065336
pubchem_cid: 57356078
smiles: O=S(=O)([O-])OCC.NCC[NH+]1CCN(CC)C1CCCCCCCCCCC
inchi:
InChI=1/C18H39N3.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-18-20(4-2)16-17-21(18)15-14-19;1-2-6-7(3,4)5/h18H,3-17,19H2,1-2H3;2H2,1H3,(H,3,4,5)


name: 1-(2-aminoethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-pentadecyl-1H-imidazolium chloride
cas: 93783-47-2
dtxsid: DTXSID80917965
formula: C22H47N3O
inchikey: SKDDAENDPDGJFI-UHFFFAOYSA-N
norman_susdat_id: NS00065337
pubchem_cid: NA
smiles: [Cl-].OCCN1CC[NH+](CCN)C1CCCCCCCCCCCCCCC
inchi:
InChI=1/C22H47N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-24(17-16-23)18-19-25(22)20-21-26;/h22,26H,2-21,23H2,1H3;1H


name: 1-(2-aminoethyl)-2-heptadecyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium chloride
cas: 93783-49-4
dtxsid: DTXSID60917963
formula: C24H51N3O
inchikey: UTKMWJPJSOFLPM-UHFFFAOYSA-N
norman_susdat_id: NS00063998
pubchem_cid: NA
smiles: [Cl-].OCCN1CC[NH+](CCN)C1CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H51N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26(19-18-25)20-21-27(24)22-23-28;/h24,28H,2-23,25H2,1H3;1H


name: 1-(2-aminoethyl)-3-ethyl-4,5-dihydro-2-pentadecyl-1H-imidazolium ethyl sulphate
cas: 93783-51-8
dtxsid: DTXSID00917962
formula: C22H47N3
inchikey: SASKDJHQXDPUGI-UHFFFAOYSA-N
norman_susdat_id: NS00065338
pubchem_cid: 57356080
smiles: O=S(=O)([O-])OCC.NCC[NH+]1CCN(CC)C1CCCCCCCCCCCCCCC
inchi:
InChI=1/C22H47N3.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24(4-2)20-21-25(22)19-18-23;1-2-6-7(3,4)5/h22H,3-21,23H2,1-2H3;2H2,1H3,(H,3,4,5)


name: 4-(1H,3H,5H-oxazolo[3,4-c]oxazol-7a(7H)-ylmethyl) hydrogen 2-octadec-2-enylsuccinate
cas: 93783-52-9
dtxsid: DTXSID00888724
formula: C28H49NO6
inchikey: JRAMIYMUAKPWJF-UHFFFAOYSA-N
norman_susdat_id: NS00064172
pubchem_cid: 74934283
smiles: O=C(OCC12N(COC1)COC2)CC(C(=O)O)CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H49NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(27(31)32)19-26(30)35-22-28-20-33-23-29(28)24-34-21-28/h16-17,25H,2-15,18-24H2,1H3,(H,31,32)


name: Dilithium tetrabutylmagnesate(2-)
cas: 93783-67-6
formula: C16H36Mg.2Li
inchikey: BWEPWVMNJLAXAA-UHFFFAOYSA-N
norman_susdat_id: NS00091949
smiles: [Li+].[Li+].CCCC[Mg-2](CCCC)(CCCC)CCCC
inchi:
InChI=1/4C4H9.2Li.Mg/c4*1-3-4-2;;;/h4*1,3-4H2,2H3;;;/q;;;;2*+1;-2/rC16H36Mg.2Li/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;;/q-2;2*+1


name: 4-(dibenzylamino)-3-ethoxybenzenediazonium chloride, compound with zinc chloride
cas: 93783-69-8
formula: C22H22N3O.xCl2Zn.Cl
inchikey: WJUCFMRDRIHZJY-UHFFFAOYSA-K
norman_susdat_id: NS00092642
smiles: [Cl-].[Cl-].[Cl-].[Zn+2].CCOc1cc(ccc1N(Cc2ccccc2)Cc3ccccc3)[N+]#N
inchi:
InChI=1/C22H22N3O.3ClH.Zn/c1-2-26-22-15-20(24-23)13-14-21(22)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19;;;;/h3-15H,2,16-17H2,1H3;3*1H;/q+1;;;;+2/p-3


cas: 93783-70-1
formula: C17H27N6S.Cl3Zn
inchikey: VAPRHDPLMDUQLM-UHFFFAOYSA-K
norman_susdat_id: NS00092212
smiles: C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.Cl[Zn-](Cl)Cl
name:
5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium trichlorozincate(1-)

inchi:
InChI=1/C17H27N6S.3ClH.Zn/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;;;;/h8-13H,1-7H3;3*1H;/q+1;;;;+2/p-3/rC17H27N6S.Cl3Zn/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;1-4(2)3/h8-13H,1-7H3;/q+1;-1


name: N'-(2-Aminoethyl)-N,N-didodecylethylenediamine
cas: 93803-01-1
chemspiderid: 2288898
dtxsid: DTXSID30239664
formula: C28H61N3
inchikey: NZTZKCVOQYVLDO-UHFFFAOYSA-N
norman_susdat_id: NS00039623
pubchem_cid: 3022384
smiles: CCCCCCCCCCCCN(CCCCCCCCCCCC)CCNCCN
inchi:
InChI=1S/C28H61N3/c1-3-5-7-9-11-13-15-17-19-21-26-31(28-25-30-24-23-29)27-22-20-18-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3


name: N-(2-Aminoethyl)-N,N'-didodecylethylenediamine
cas: 93803-02-2
chemspiderid: 2288899
dtxsid: DTXSID90239665
formula: C28H61N3
inchikey: USEFLVZSSJSALE-UHFFFAOYSA-N
norman_susdat_id: NS00039624
pubchem_cid: 3022385
smiles: CCCCCCCCCCCCNCCN(CCN)CCCCCCCCCCCC
inchi:
InChI=1S/C28H61N3/c1-3-5-7-9-11-13-15-17-19-21-24-30-25-28-31(27-23-29)26-22-20-18-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3


name: Tetraammonium hydrogen 2-phosphonobutane-1,2,4-tricarboxylate
cas: 93803-05-5
formula: C7H11O9P.4H3N
inchikey: OKYZCYSYTBASGO-UHFFFAOYSA-O
norman_susdat_id: NS00092248
smiles: [NH4+].[NH4+].[NH4+].[NH4+].OP(=O)(O)C(CCC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C7H11O9P.4H3N/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16);4*1H3/p+1


name: Diethyl(3-(((heptadecafluorooctyl)sulphonyl)amino)propyl)methylammonium iodide
cas: 93803-06-6
chemspiderid: 2288901
dtxsid: DTXSID50881063
formula: C16H20F17N2O2S1
inchikey: ZIZNQVVBCZRJKW-UHFFFAOYSA-M
norman_susdat_id: NS00019324
pubchem_cid: 21149722
smiles: [I-].CC[N+](C)(CC)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H20F17N2O2S/c1-4-35(3,5-2)8-6-7-34-38(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h34H,4-8H2,1-3H3/q+1


name: 2-tetradecyloctadecyl 2-ethylhexanoate
cas: 93803-07-7
dtxsid: DTXSID00917907
formula: C40H80O2
inchikey: BWCCPBBONIKWBI-UHFFFAOYSA-N
norman_susdat_id: NS00064622
pubchem_cid: 3022389
smiles: O=C(OCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)C(CC)CCCC
inchi:
InChI=1/C40H80O2/c1-5-9-12-14-16-18-20-22-23-25-27-29-31-33-35-38(37-42-40(41)39(8-4)36-11-7-3)34-32-30-28-26-24-21-19-17-15-13-10-6-2/h38-39H,5-37H2,1-4H3


name: Hexadecyl octadecyl hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 93803-12-4
dtxsid: DTXSID80917905
formula: C34H71O4P
inchikey: SDGHKFRRMYSHLN-UHFFFAOYSA-N
norman_susdat_id: NS00064191
pubchem_cid: 44152606
smiles: O=P(O)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC.OCCN(CCO)CCO
inchi:
InChI=1/C34H71O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-38-39(35,36)37-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h3-34H2,1-2H3,(H,35,36);8-10H,1-6H2


name: Octadec-9-enyl octadecyl hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 93803-14-6
formula: C36H73O4P
inchikey: QMHUWCFQJDCYFY-UHFFFAOYSA-N
norman_susdat_id: NS00064192
pubchem_cid: NA
smiles: O=P(O)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCCCCCCCCCCC.OCCN(CCO)CCO
inchi:
InChI=1/C36H73O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h17,19H,3-16,18,20-36H2,1-2H3,(H,37,38);8-10H,1-6H2


name: (2-hydroxyethyl)bis[2-(stearoyloxy)ethyl]ammonium acetate
cas: 93803-15-7
dtxsid: DTXSID20917904
formula: C42H83NO5
inchikey: XAWGBLLKNFXIEI-UHFFFAOYSA-N
norman_susdat_id: NS00064623
pubchem_cid: 3022391
smiles: O=C([O-])C.O=C(OCC[NH+](CCO)CCOC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C42H83NO5.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)47-39-36-43(35-38-44)37-40-48-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h44H,3-40H2,1-2H3;1H3,(H,3,4)


name: Tris[2-(stearoyloxy)ethyl]ammonium acetate
cas: 93803-16-8
formula: C60H117NO6.C2H4O2
inchikey: AZKRQKMXMKKMQO-UHFFFAOYSA-N
norman_susdat_id: NS00092661
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-]
inchi:
InChI=1/C60H117NO6.C2H4O2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58(62)65-55-52-61(53-56-66-59(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-57-67-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;1-2(3)4/h4-57H2,1-3H3;1H3,(H,3,4)


name: Bis(2-hydroxyethyl)[2-(octadec-9-enoyloxy)ethyl]ammonium acetate
cas: 93803-18-0
formula: C24H47NO4.C2H4O2
inchikey: JPBUGLVVKDRPHS-UHFFFAOYSA-N
norman_susdat_id: NS00092249
smiles: O=C(OCC[NH+](CCO)CCO)CCCCCCCC=CCCCCCCCC.[O-]C(C)=O
inchi:
InChI=1/C24H47NO4.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)29-23-20-25(18-21-26)19-22-27;1-2(3)4/h9-10,26-27H,2-8,11-23H2,1H3;1H3,(H,3,4)


name: 2-hydroxy-3-[(1-oxooctadecyl)oxy]propyldimethyl[3-[(1-oxoicosyl)amino]propyl]ammonium chloride
cas: 93803-19-1
dtxsid: DTXSID60917903
formula: C46H93N2O4
inchikey: JJWUBHYZIHWYOS-UHFFFAOYSA-N
norman_susdat_id: NS00064052
pubchem_cid: 53446996
smiles: [Cl-].O=C(OCC(O)C[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C46H92N2O4.ClH/c1-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-38-45(50)47-40-37-41-48(3,4)42-44(49)43-52-46(51)39-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-2;/h44,49H,5-43H2,1-4H3;1H


name: 2-hydroxy-3-[(oxooctadecyl)oxy]propyldimethyl[3-[(1-oxodocosyl)amino]propyl]ammonium chloride
cas: 93803-20-4
dtxsid: DTXSID00917902
formula: C48H97N2O4
inchikey: QYZQERTZVUODMS-UHFFFAOYSA-N
norman_susdat_id: NS00064053
pubchem_cid: 92033849
smiles: [Cl-].O=C(OCC(O)C[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C48H96N2O4.ClH/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-40-47(52)49-42-39-43-50(3,4)44-46(51)45-54-48(53)41-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-2;/h46,51H,5-45H2,1-4H3;1H


name: L-histidine mono(3-phenylpyruvate)
cas: 93803-24-8
formula: C9H8O3.C6H9N3O2
inchikey: HXWWOVBNGFGPHI-ZSCHJXSPSA-N
norman_susdat_id: NS00092662
smiles: N[C@@H](Cc1c[nH]cn1)C(=O)O.OC(=O)C(=O)Cc2ccccc2
inchi:
InChI=1/C9H8O3.C6H9N3O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-5(6(10)11)1-4-2-8-3-9-4/h1-5H,6H2,(H,11,12);2-3,5H,1,7H2,(H,8,9)(H,10,11)


name: 4-benzyl-1-(3-sulphonatopropyl)pyridinium
cas: 93803-28-2
formula: C15H18NO3S
inchikey: GLYYWBKHAJZWOQ-UHFFFAOYSA-N
norman_susdat_id: NS00064195
pubchem_cid: 5050298
smiles: O=S(=O)([O-])CCC[N+]1=CC=C(C=C1)CC=2C=CC=CC2
inchi:
InChI=1/C15H17NO3S/c17-20(18,19)12-4-9-16-10-7-15(8-11-16)13-14-5-2-1-3-6-14/h1-3,5-8,10-11H,4,9,12-13H2


cas: 93803-32-8
formula: C26H21N3O12S3
inchikey: ZSKWXQUHWGAJEH-UHFFFAOYSA-K
norman_susdat_id: NS00064055
pubchem_cid: NA
name:
Trisodium 4-[[1-hydroxy-8-[[1-oxo-3-(phenylsulphonyl)propyl]amino]-3,6-disulphonato-2-naphthyl]azo]benzoate

inchi:
InChI=1/C26H21N3O12S3.3Na/c30-22(10-11-42(34,35)18-4-2-1-3-5-18)27-20-14-19(43(36,37)38)12-16-13-21(44(39,40)41)24(25(31)23(16)20)29-28-17-8-6-15(7-9-17)26(32)33;;;/h1-9,12-14,31H,10-11H2,(H,27,30)(H,32,33)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC=C(N=NC=2C(O)=C3C(C=C(C=C3NC(=O)CCS(=O)(=O)C=4C=CC=CC4)S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])C=C1


cas: 93803-33-9
dtxsid: DTXSID10917897
formula: C27H28ClN3O10S3
inchikey: SPISUZQTXUPMAE-UHFFFAOYSA-L
norman_susdat_id: NS00064625
pubchem_cid: NA
name:
Disodium 7-[[[6-[(2-chloroethyl)sulphonyl]bicyclo[2.2.1]hept-2-yl]carbonyl]amino]-4-hydroxy-3-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C27H28ClN3O10S3.2Na/c1-14-2-5-21(23(8-14)43(36,37)38)30-31-25-24(44(39,40)41)13-16-12-17(3-4-18(16)26(25)32)29-27(33)20-10-15-9-19(20)22(11-15)42(34,35)7-6-28;;/h2-5,8,12-13,15,19-20,22,32H,6-7,9-11H2,1H3,(H,29,33)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C=C3S(=O)(=O)[O-])C)C2O)S(=O)(=O)[O-])C4CC5CC4C(C5)S(=O)(=O)CCCl


cas: 93803-34-0
dtxsid: DTXSID50917896
formula: C27H27N3O10S3
inchikey: RMKDAHFSZYFBGO-UHFFFAOYSA-L
norman_susdat_id: NS00065391
pubchem_cid: NA
name:
Disodium 4-hydroxy-3-[(4-methyl-2-sulphonatophenyl)azo]-7-[[[6-(vinylsulphonyl)bicyclo[2.2.1]hept-2-yl]carbonyl]amino]naphthalene-2-sulphonate

inchi:
InChI=1/C27H27N3O10S3.2Na/c1-3-41(33,34)22-11-15-9-19(22)20(10-15)27(32)28-17-5-6-18-16(12-17)13-24(43(38,39)40)25(26(18)31)30-29-21-7-4-14(2)8-23(21)42(35,36)37;;/h3-8,12-13,15,19-20,22,31H,1,9-11H2,2H3,(H,28,32)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C=C3S(=O)(=O)[O-])C)C2O)S(=O)(=O)[O-])C4CC5CC4C(C5)S(=O)(=O)C=C


cas: 93803-35-1
formula: C35H27N11O7S2.2Na
inchikey: UWPASOYQKUKDRA-UHFFFAOYSA-L
norman_susdat_id: NS00092261
name:
Disodium 4-amino-3-[[4-[5-[(2,4-diaminophenyl)azo]-1H-benzimidazol-2-yl]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C35H27N11O7S2.2Na/c36-20-8-12-25(24(37)16-20)44-43-23-11-13-26-27(17-23)40-35(39-26)18-6-9-22(10-7-18)42-45-32-28(54(48,49)50)14-19-15-29(55(51,52)53)33(34(47)30(19)31(32)38)46-41-21-4-2-1-3-5-21;;/h1-17,47H,36-38H2,(H,39,40)(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2

smiles:
[Na+].[Na+].[O-]S(=O)(=O)c7cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c7N=Nc3ccc(cc3)c4nc5ccc(cc5n4)N=Nc6ccc(N)cc6N)S([O-])(=O)=O


cas: 93803-36-2
formula: C36H29N11O7S2.2Na
inchikey: CJVRPDGCCFVVGD-UHFFFAOYSA-L
norman_susdat_id: NS00092028
name:
Disodium 4-amino-3-[[4-[5-[(2,4-diamino-5-methylphenyl)azo]-1H-benzimidazol-2-yl]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C36H29N11O7S2.2Na/c1-18-13-27(25(38)17-24(18)37)45-44-23-11-12-26-28(16-23)41-36(40-26)19-7-9-22(10-8-19)43-46-33-29(55(49,50)51)14-20-15-30(56(52,53)54)34(35(48)31(20)32(33)39)47-42-21-5-3-2-4-6-21;;/h2-17,48H,37-39H2,1H3,(H,40,41)(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2

smiles:
[Na+].[Na+].[O-]S(=O)(=O)c7cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c7N=Nc3ccc(cc3)c4nc5ccc(cc5n4)N=Nc6cc(C)c(N)cc6N)S([O-])(=O)=O


cas: 93803-37-3
formula: C35H25N9O8S2.2Na
inchikey: VDUMASGBXMQFSM-UHFFFAOYSA-L
norman_susdat_id: NS00092029
name:
Disodium 4-amino-5-hydroxy-3-[[4-[5-[(4-hydroxyphenyl)azo]-1H-benzimidazol-2-yl]phenyl]azo]-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C35H25N9O8S2.2Na/c36-31-30-20(17-29(54(50,51)52)33(34(30)46)44-40-21-4-2-1-3-5-21)16-28(53(47,48)49)32(31)43-41-22-8-6-19(7-9-22)35-37-26-15-12-24(18-27(26)38-35)42-39-23-10-13-25(45)14-11-23;;/h1-18,45-46H,36H2,(H,37,38)(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2

smiles:
[Na+].[Na+].[O-]S(=O)(=O)c7cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c7N=Nc3ccc(cc3)c4nc5ccc(cc5n4)N=Nc6ccc(O)cc6)S([O-])(=O)=O


cas: 93803-38-4
formula: C35H28N8O12S3
inchikey: YWWQMHSIHWVLFD-UHFFFAOYSA-K
norman_susdat_id: NS00065415
pubchem_cid: NA
name:
Trisodium 4-amino-3-[[4'-[(2-amino-4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C35H28N8O12S3.3Na/c1-55-24-11-13-27(28(17-24)56(46,47)48)41-43-34-30(58(52,53)54)15-20-14-29(57(49,50)51)33(32(37)31(20)35(34)45)42-39-22-8-4-19(5-9-22)18-2-6-21(7-3-18)38-40-26-12-10-23(44)16-25(26)36;;;/h2-17,44-45H,36-37H2,1H3,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC(OC)=CC=C1N=NC2=C(O)C=3C(C=C2S(=O)(=O)[O-])=CC(=C(N=NC4=CC=C(C=C4)C=5C=CC(N=NC6=CC=C(O)C=C6N)=CC5)C3N)S(=O)(=O)[O-]


cas: 93803-39-5
formula: C35H26N8O10S2
inchikey: VTGAVUGTRRQTGC-UHFFFAOYSA-K
norman_susdat_id: NS00064646
pubchem_cid: NA
name:
Trisodium 4-[[8-amino-7-[[4'-[(2-amino-4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]benzoate

inchi:
InChI=1/C35H26N8O10S2.3Na/c36-26-17-25(44)13-14-27(26)41-38-22-7-1-18(2-8-22)19-3-9-23(10-4-19)39-42-32-28(54(48,49)50)15-21-16-29(55(51,52)53)33(34(45)30(21)31(32)37)43-40-24-11-5-20(6-12-24)35(46)47;;;/h1-17,44-45H,36-37H2,(H,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC=C(N=NC2=C(O)C=3C(C=C2S(=O)(=O)[O-])=CC(=C(N=NC4=CC=C(C=C4)C=5C=CC(N=NC6=CC=C(O)C=C6N)=CC5)C3N)S(=O)(=O)[O-])C=C1


cas: 93803-40-8
formula: C24H20N6O11S2
inchikey: OFIKJWLVHDMOMC-UHFFFAOYSA-L
norman_susdat_id: NS00065416
pubchem_cid: 135755734
name:
Disodium 2-[[4-[[2-hydroxy-5-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]amino]-5-nitrobenzenesulphonate

inchi:
InChI=1/C24H18N6O11S2.2Na/c31-22-10-5-16(26-20-9-7-18(30(34)35)13-24(20)43(39,40)41)11-21(22)28-27-15-3-1-14(2-4-15)25-19-8-6-17(29(32)33)12-23(19)42(36,37)38;;/h1-13,25-26,31H,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC3=CC(=CC=C3O)NC4=CC=C(C=C4S(=O)(=O)[O-])[N+](=O)[O-])C=C2)C(=C1)S(=O)(=O)[O-]


name: Bis(2-ethylhexyl) 3,3'-[methylenebis(thio)]bispropionate
cas: 93803-44-2
dtxsid: DTXSID70917893
formula: C23H44O4S2
inchikey: YIQGCJSWUAFGQE-UHFFFAOYSA-N
norman_susdat_id: NS00065417
pubchem_cid: 44153883
smiles: O=C(OCC(CC)CCCC)CCSCSCCC(=O)OCC(CC)CCCC
inchi:
InChI=1/C23H44O4S2/c1-5-9-11-20(7-3)17-26-22(24)13-15-28-19-29-16-14-23(25)27-18-21(8-4)12-10-6-2/h20-21H,5-19H2,1-4H3


name: Methyl N,N,N-trimethyl[(2-hydroxy[1,1'-biphenyl]-3-yl)methyl]ammonium sulphate
cas: 93803-47-5
dtxsid: DTXSID50917891
formula: C16H20NO
inchikey: ZVFDXJIVZLOMMQ-UHFFFAOYSA-N
norman_susdat_id: NS00064647
pubchem_cid: 93483788
smiles: O=S(=O)([O-])OC.OC1=C(C=CC=C1C[N+](C)(C)C)C=2C=CC=CC2
inchi:
InChI=1/C16H19NO.CH4O4S/c1-17(2,3)12-14-10-7-11-15(16(14)18)13-8-5-4-6-9-13;1-5-6(2,3)4/h4-11H,12H2,1-3H3;1H3,(H,2,3,4)


name: (2-hydroxyethyl)[2-(stearoyloxy)ethyl]ammonium formate
cas: 93803-53-3
formula: C22H45NO3.CH2O2
inchikey: PWKKDKKLLATCOA-UHFFFAOYSA-N
norman_susdat_id: NS00091972
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC[NH2+]CCO.[O-]C=O
inchi:
InChI=1/C22H45NO3.CH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-19-23-18-20-24;2-1-3/h23-24H,2-21H2,1H3;1H,(H,2,3)


name: Formic acid, compound with N-[2-[(2-hydroxyethyl)amino]ethyl]stearamide (1:1)
cas: 93803-54-4
formula: C22H46N2O2.CH2O2
inchikey: KEGZTWUIEOCTAD-UHFFFAOYSA-N
norman_susdat_id: NS00092041
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCO.OC=O
inchi:
InChI=1/C22H46N2O2.CH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;2-1-3/h23,25H,2-21H2,1H3,(H,24,26);1H,(H,2,3)


name: 2,2'-(2-methylpropylidene)bis[6-(1,1-dimethylethyl)-p-cresol]
cas: 93803-56-6
dtxsid: DTXSID00917886
formula: C26H38O2
inchikey: YRVBJWCQIAOZEB-UHFFFAOYSA-N
norman_susdat_id: NS00064103
pubchem_cid: 21199187
smiles: OC=1C(=CC(=CC1C(C)(C)C)C)C(C2=CC(=CC(=C2O)C(C)(C)C)C)C(C)C
inchi:
InChI=1/C26H38O2/c1-15(2)22(18-11-16(3)13-20(23(18)27)25(5,6)7)19-12-17(4)14-21(24(19)28)26(8,9)10/h11-15,22,27-28H,1-10H3


name: 2,2'-methylenebis[6-cyclooctyl-4-isopropylphenol]
cas: 93803-57-7
dtxsid: DTXSID40917885
formula: C35H52O2
inchikey: LLEGIWXOFYVFCM-UHFFFAOYSA-N
norman_susdat_id: NS00065419
pubchem_cid: 44153835
smiles: OC=1C(=CC(=CC1C2CCCCCCC2)C(C)C)CC3=CC(=CC(=C3O)C4CCCCCCC4)C(C)C
inchi:
InChI=1/C35H52O2/c1-24(2)28-19-30(34(36)32(22-28)26-15-11-7-5-8-12-16-26)21-31-20-29(25(3)4)23-33(35(31)37)27-17-13-9-6-10-14-18-27/h19-20,22-27,36-37H,5-18,21H2,1-4H3


name: 2,2'-methylenebis[6-cyclopentyl-4-isopropylphenol]
cas: 93803-58-8
dtxsid: DTXSID80917884
formula: C29H40O2
inchikey: LFKIOZVKIKEHNB-UHFFFAOYSA-N
norman_susdat_id: NS00064104
pubchem_cid: 44151356
smiles: OC=1C(=CC(=CC1C2CCCC2)C(C)C)CC3=CC(=CC(=C3O)C4CCCC4)C(C)C
inchi:
InChI=1/C29H40O2/c1-18(2)22-13-24(28(30)26(16-22)20-9-5-6-10-20)15-25-14-23(19(3)4)17-27(29(25)31)21-11-7-8-12-21/h13-14,16-21,30-31H,5-12,15H2,1-4H3


name: 2,2'-(2-methylpropylidene)bis[4,6-diisopropylphenol]
cas: 93803-59-9
dtxsid: DTXSID20917883
formula: C28H42O2
inchikey: KPJUNYFTCMRIRE-UHFFFAOYSA-N
norman_susdat_id: NS00064232
pubchem_cid: 44150273
smiles: OC=1C(=CC(=CC1C(C)C)C(C)C)C(C2=CC(=CC(=C2O)C(C)C)C(C)C)C(C)C
inchi:
InChI=1/C28H42O2/c1-15(2)20-11-22(17(5)6)27(29)24(13-20)26(19(9)10)25-14-21(16(3)4)12-23(18(7)8)28(25)30/h11-19,26,29-30H,1-10H3


name: 2,2'-(2-methylpropylidene)bis[6-cyclopentyl-4-isopropylphenol]
cas: 93803-60-2
dtxsid: DTXSID60917882
formula: C32H46O2
inchikey: GUQPPJSPZYSPPS-UHFFFAOYSA-N
norman_susdat_id: NS00064105
pubchem_cid: 44151856
smiles: OC=1C(=CC(=CC1C2CCCC2)C(C)C)C(C3=CC(=CC(=C3O)C4CCCC4)C(C)C)C(C)C
inchi:
InChI=1/C32H46O2/c1-19(2)24-15-26(22-11-7-8-12-22)31(33)28(17-24)30(21(5)6)29-18-25(20(3)4)16-27(32(29)34)23-13-9-10-14-23/h15-23,30,33-34H,7-14H2,1-6H3


name: 2,2'-methylenebis[4,6-diisopropylphenol]
cas: 93803-61-3
dtxsid: DTXSID00917881
formula: C25H36O2
inchikey: VEQGPPAIMRVTQA-UHFFFAOYSA-N
norman_susdat_id: NS00064106
pubchem_cid: 19046885
smiles: OC=1C(=CC(=CC1C(C)C)C(C)C)CC2=CC(=CC(=C2O)C(C)C)C(C)C
inchi:
InChI=1/C25H36O2/c1-14(2)18-9-20(24(26)22(12-18)16(5)6)11-21-10-19(15(3)4)13-23(17(7)8)25(21)27/h9-10,12-17,26-27H,11H2,1-8H3


name: 2,2'-methylenebis[4,6-dicyclopentylphenol]
cas: 93803-62-4
dtxsid: DTXSID40917880
formula: C33H44O2
inchikey: NINOVOIDPXKQRK-UHFFFAOYSA-N
norman_susdat_id: NS00065420
pubchem_cid: 21388764
smiles: OC=1C(=CC(=CC1C2CCCC2)C3CCCC3)CC4=CC(=CC(=C4O)C5CCCC5)C6CCCC6
inchi:
InChI=1/C33H44O2/c34-32-28(17-26(22-9-1-2-10-22)20-30(32)24-13-5-6-14-24)19-29-18-27(23-11-3-4-12-23)21-31(33(29)35)25-15-7-8-16-25/h17-18,20-25,34-35H,1-16,19H2


name: 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-m-cresol]
cas: 93803-63-5
dtxsid: DTXSID30917879
formula: C27H40O2
inchikey: JTOIRRMZJBJBFB-UHFFFAOYSA-N
norman_susdat_id: NS00064671
pubchem_cid: 44150555
smiles: OC=1C(=CC(=C(C1CC2=C(O)C(=CC(=C2C)CC)C(C)(C)C)C)CC)C(C)(C)C
inchi:
InChI=1/C27H40O2/c1-11-18-13-22(26(5,6)7)24(28)20(16(18)3)15-21-17(4)19(12-2)14-23(25(21)29)27(8,9)10/h13-14,28-29H,11-12,15H2,1-10H3


name: 3,3'-methylenebis[1-(1,1-dimethylethyl)-5,6,7,8-tetrahydro-2-naphthol]
cas: 93803-64-6
dtxsid: DTXSID70917878
formula: C29H40O2
inchikey: OADXKVRWSMWMFN-UHFFFAOYSA-N
norman_susdat_id: NS00065421
pubchem_cid: 44154118
smiles: OC1=C(C=C2C(=C1C(C)(C)C)CCCC2)CC=3C=C4C(=C(C3O)C(C)(C)C)CCCC4
inchi:
InChI=1/C29H40O2/c1-28(2,3)24-22-13-9-7-11-18(22)15-20(26(24)30)17-21-16-19-12-8-10-14-23(19)25(27(21)31)29(4,5)6/h15-16,30-31H,7-14,17H2,1-6H3


name: 5-oxo-L-proline, compound with 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethylamine (1:1)
cas: 93803-72-6
formula: C18H22ClNO.C5H7NO3
inchikey: LLKBXCXJSMKZJN-HVDRVSQOSA-N
norman_susdat_id: NS00092271
smiles: CN(C)CCOC(C)(c1ccccc1)c2ccc(Cl)cc2.OC(=O)[C@@H]3CCC(=O)N3
inchi:
InChI=1/C18H22ClNO.C5H7NO3/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;7-4-2-1-3(6-4)5(8)9/h4-12H,13-14H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 1,5-dimethyl-N-(3-methylbutyl)hexylamine (1:1)
cas: 93803-73-7
formula: C13H29N.C5H7NO3
inchikey: UDBSTPFSZXOXRY-HVDRVSQOSA-N
norman_susdat_id: NS00092272
smiles: CC(C)CCCC(C)NCCC(C)C.OC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1/C13H29N.C5H7NO3/c1-11(2)7-6-8-13(5)14-10-9-12(3)4;7-4-2-1-3(6-4)5(8)9/h11-14H,6-10H2,1-5H3;3H,1-2H2,(H,6,7)(H,8,9)


cas: 93803-76-0
formula: C20H27N5O3.C5H7NO3
inchikey: RCLMQSPBNUYHNP-HVDRVSQOSA-N
norman_susdat_id: NS00092701
smiles: CCN(CCO)CCn1c(Cc2ccccc2)nc3N(C)C(=O)N(C)C(=O)c13.OC(=O)[C@@H]4CCC(=O)N4
name:
5-oxo-L-proline, compound with 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)

inchi:
InChI=1/C20H27N5O3.C5H7NO3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2;7-4-2-1-3(6-4)5(8)9/h5-9,26H,4,10-14H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)


cas: 93803-77-1
formula: C15H21N3O3.C5H7NO3
inchikey: ZYYCAFWKMRIETC-IULHSVLKSA-N
norman_susdat_id: NS00092702
smiles: CNC(=O)Oc1ccc2N(C)[C@H]3ON(C)CC[C@@]3(C)c2c1.OC(=O)[C@@H]4CCC(=O)N4
name:
5-oxo-L-proline, compound with (4aS-cis)-2,3,4,4a,9,9a-hexahydro-2,4a,9-trimethyl-1,2-oxazino[6,5-b]indol-6-yl methylcarbamate (1:1)

inchi:
InChI=1/C15H21N3O3.C5H7NO3/c1-15-7-8-17(3)21-13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;7-4-2-1-3(6-4)5(8)9/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);3H,1-2H2,(H,6,7)(H,8,9)


cas: 93803-80-6
formula: C20H23N.C5H7NO3
inchikey: DBCOQYSIALQLEK-HVDRVSQOSA-N
norman_susdat_id: NS00091984
smiles: CN(C)CCC=C1c2ccccc2CCc3ccccc13.OC(=O)[C@@H]4CCC(=O)N4
name:
5-oxo-L-proline, compound with 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropylamine (1:1)

inchi:
InChI=1/C20H23N.C5H7NO3/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;7-4-2-1-3(6-4)5(8)9/h3-6,8-12H,7,13-15H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 2-octyldodecyl isooctadecanoate
cas: 93803-87-3
chemspiderid: 34997065
formula: C38H76O2
inchikey: QNJOVLAFLJQFBF-UHFFFAOYSA-N
norman_susdat_id: NS00001948
pubchem_cid: 44147658
smiles: CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C38H76O2/c1-5-7-9-11-13-21-25-29-33-37(32-28-24-12-10-8-6-2)35-40-38(39)34-30-26-22-19-17-15-14-16-18-20-23-27-31-36(3)4/h36-37H,5-35H2,1-4H3


name: 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoate
cas: 93803-89-5
chemspiderid: 16366642
formula: C41H76O8
inchikey: PPKAGMLCLQWXJX-UHFFFAOYSA-N
norman_susdat_id: NS00006105
pubchem_cid: 17907846
smiles: CC(C)CCCCCC(=O)OCC(COC(=O)CCCCCC(C)C)(COC(=O)CCCCCC(C)C)COC(=O)CCCCCC(C)C
inchi:
InChI=1S/C41H76O8/c1-33(2)21-13-9-17-25-37(42)46-29-41(30-47-38(43)26-18-10-14-22-34(3)4,31-48-39(44)27-19-11-15-23-35(5)6)32-49-40(45)28-20-12-16-24-36(7)8/h33-36H,9-32H2,1-8H3


name: [1-[(chloromethyl)phenyl]ethyl]triethoxysilane
cas: 93803-92-0
dtxsid: DTXSID60917862
formula: C15H25ClO3Si
inchikey: YSXDNKZSMSWRSW-UHFFFAOYSA-N
norman_susdat_id: NS00063831
pubchem_cid: 3022413
smiles: ClCC=1C=CC=CC1C(C)[Si](OCC)(OCC)OCC
inchi:
InChI=1/C15H25ClO3Si/c1-5-17-20(18-6-2,19-7-3)13(4)15-11-9-8-10-14(15)12-16/h8-11,13H,5-7,12H2,1-4H3


name: Methylcyclohexyl docosanoate
cas: 93803-95-3
chemspiderid: 2288922
dtxsid: DTXSID20239678
formula: C29H56O2
inchikey: IJGOBCWYJXFHKS-UHFFFAOYSA-N
norman_susdat_id: NS00039635
pubchem_cid: 3022415
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OC1(C)CCCCC1
inchi:
InChI=1S/C29H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-28(30)31-29(2)26-23-21-24-27-29/h3-27H2,1-2H3


name: Sodium 3-[(1,1-dimethylethyl)-2-hydroxyphenoxy]propanesulphonate
cas: 93803-96-4
dtxsid: DTXSID80239679
formula: C13H22O5S
inchikey: OESCGKXWJAHDRS-UHFFFAOYSA-M
norman_susdat_id: NS00065156
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])CCCOC1C=CC=CC1(O)C(C)(C)C
inchi:
InChI=1/C13H22O5S.Na/c1-12(2,3)13(14)8-5-4-7-11(13)18-9-6-10-19(15,16)17;/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,15,16,17);/q;+1/p-1


name: 4-(octadecenylamino)-4-oxo-2-butenoic acid
cas: 93804-04-7
formula: C22H39NO3
inchikey: XIYWXKBSZXPHIL-UHFFFAOYSA-N
norman_susdat_id: NS00065157
pubchem_cid: 3022418
smiles: O=C(O)C=CC(=O)NC=CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21(24)18-19-22(25)26/h17-20H,2-16H2,1H3,(H,23,24)(H,25,26)


name: Adipic acid, compound with 2-(dimethylamino)ethyl methacrylate (1:2)
cas: 93804-17-2
formula: C8H15NO2.1/2C6H10O4
inchikey: FJRDMFYWLVDZDU-UHFFFAOYSA-N
norman_susdat_id: NS00091902
smiles: CN(C)CCOC(=O)C(=C)C.CN(C)CCOC(=O)C(=C)C.OC(=O)CCCCC(=O)O
inchi:
InChI=1/2C8H15NO2.C6H10O4/c2*1-7(2)8(10)11-6-5-9(3)4;7-5(8)3-1-2-4-6(9)10/h2*1,5-6H2,2-4H3;1-4H2,(H,7,8)(H,9,10)


name: N-[3-[tris(octyloxy)silyl]propyl]ethylenediamine
cas: 93804-22-9
dtxsid: DTXSID50239681
formula: C29H64N2O3Si
inchikey: IIFQOFYIMRYCNC-UHFFFAOYSA-N
norman_susdat_id: NS00063959
pubchem_cid: 3022420
smiles: O(CCCCCCCC)[Si](OCCCCCCCC)(OCCCCCCCC)CCCNCCN
inchi:
InChI=1/C29H64N2O3Si/c1-4-7-10-13-16-19-26-32-35(29-22-24-31-25-23-30,33-27-20-17-14-11-8-5-2)34-28-21-18-15-12-9-6-3/h31H,4-30H2,1-3H3


name: N-[3-[tris(decyloxy)silyl]propyl]ethylenediamine
cas: 93804-23-0
dtxsid: DTXSID10239682
formula: C35H76N2O3Si
inchikey: RFKMZHOLZUSWKY-UHFFFAOYSA-N
norman_susdat_id: NS00065159
pubchem_cid: 3022421
smiles: O(CCCCCCCCCC)[Si](OCCCCCCCCCC)(OCCCCCCCCCC)CCCNCCN
inchi:
InChI=1/C35H76N2O3Si/c1-4-7-10-13-16-19-22-25-32-38-41(35-28-30-37-31-29-36,39-33-26-23-20-17-14-11-8-5-2)40-34-27-24-21-18-15-12-9-6-3/h37H,4-36H2,1-3H3


name: Tris(dodecyloxy)[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane
cas: 93804-24-1
dtxsid: DTXSID80917849
formula: C44H88O4Si
inchikey: QLSOVNMKHMDVDO-UHFFFAOYSA-N
norman_susdat_id: NS00063960
pubchem_cid: 44153232
smiles: O(CCCCCCCCCCCC)[Si](OCCCCCCCCCCCC)(OCCCCCCCCCCCC)CCC1CCC2OC2C1
inchi:
InChI=1/C44H88O4Si/c1-4-7-10-13-16-19-22-25-28-31-37-45-49(40-36-42-34-35-43-44(41-42)48-43,46-38-32-29-26-23-20-17-14-11-8-5-2)47-39-33-30-27-24-21-18-15-12-9-6-3/h42-44H,4-41H2,1-3H3


name: Calcium naphthalene-2,6-disulphonate
cas: 93804-30-9
formula: C10H8O6S2.Ca
inchikey: LJYYUPYEVYMPLY-UHFFFAOYSA-L
norman_susdat_id: NS00091903
smiles: [Ca+2].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O6S2.Ca/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9;/h1-6H,(H,11,12,13)(H,14,15,16);/q;+2/p-2


name: Potassium 9,10-dihydro-9,10-dioxo-5-nitroanthracene-1-sulphonate
cas: 93804-31-0
formula: C14H7NO7S.K
inchikey: ZAFSYIDAMNIOID-UHFFFAOYSA-M
norman_susdat_id: NS00091904
smiles: [K+].[O-][N+](=O)c1cccc2C(=O)c3c(cccc3S(=O)(=O)[O-])C(=O)c12
inchi:
InChI=1/C14H7NO7S.K/c16-13-8-4-2-6-10(23(20,21)22)12(8)14(17)7-3-1-5-9(11(7)13)15(18)19;/h1-6H,(H,20,21,22);/q;+1/p-1


name: Potassium 9,10-dihydro-9,10-dioxo-8-nitroanthracene-1-sulphonate
cas: 93804-32-1
formula: C14H7NO7S.K
inchikey: CCSQWQRHRJNTID-UHFFFAOYSA-M
norman_susdat_id: NS00092089
smiles: [K+].[O-][N+](=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)[O-]
inchi:
InChI=1/C14H7NO7S.K/c16-13-7-3-1-5-9(15(18)19)11(7)14(17)12-8(13)4-2-6-10(12)23(20,21)22;/h1-6H,(H,20,21,22);/q;+1/p-1


cas: 93804-34-3
formula: C37H30N4O10S3
inchikey: RQUCHXISLVELAH-UHFFFAOYSA-N
norman_susdat_id: NS00063961
pubchem_cid: 136146397
name:
3-[[3,3'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid

inchi:
InChI=1/C37H30N4O10S3/c1-22-4-12-30(13-5-22)54(49,50)51-29-10-8-28(9-11-29)38-39-33-16-6-25(18-23(33)2)26-7-17-34(24(3)19-26)40-41-36-35(53(46,47)48)21-27-20-31(52(43,44)45)14-15-32(27)37(36)42/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48)

smiles:
O=S(=O)(O)C=1C=CC2=C(O)C(N=NC3=CC=C(C=C3C)C4=CC=C(N=NC5=CC=C(OS(=O)(=O)C6=CC=C(C=C6)C)C=C5)C(=C4)C)=C(C=C2C1)S(=O)(=O)O


name: 4-hydroxy-3-[[2-[4-(tert-pentyl)phenoxy]phenyl]azo]naphthalene-2,7-disulphonic acid
cas: 93804-35-4
formula: C27H26N2O8S2
inchikey: NIDHMNAVSFHPCV-UHFFFAOYSA-N
norman_susdat_id: NS00064324
pubchem_cid: 3022428
smiles: O=S(=O)(O)C=1C=CC2=C(O)C(N=NC=3C=CC=CC3OC4=CC=C(C=C4)C(C)(C)CC)=C(C=C2C1)S(=O)(=O)O
inchi:
InChI=1/C27H26N2O8S2/c1-4-27(2,3)18-9-11-19(12-10-18)37-23-8-6-5-7-22(23)28-29-25-24(39(34,35)36)16-17-15-20(38(31,32)33)13-14-21(17)26(25)30/h5-16,30H,4H2,1-3H3,(H,31,32,33)(H,34,35,36)


name: 1,1'-bis(1-methylethyl)[3,3'-bianthra[1,9-cd]pyrazole]-6,6'(1H,1'H)-dione
cas: 93804-37-6
dtxsid: DTXSID00917846
formula: C34H26N4O2
inchikey: QYYGOQAXQIIHNY-UHFFFAOYSA-N
norman_susdat_id: NS00065162
pubchem_cid: 56843318
smiles: O=C1C=2C=CC=CC2C3=C4C(=NN3C(C)C)C(=CC=C14)C5=CC=C6C(=O)C7=CC=CC=C7C8=C6C5=NN8C(C)C
inchi:
InChI=1/C34H26N4O2/c1-17(2)37-31-21-9-5-7-11-23(21)33(39)25-15-13-19(29(35-37)27(25)31)20-14-16-26-28-30(20)36-38(18(3)4)32(28)22-10-6-8-12-24(22)34(26)40/h5-18H,1-4H3


cas: 93804-38-7
formula: C23H22Cl2N8O5S
inchikey: MBHGUVULSNCWKZ-UHFFFAOYSA-N
norman_susdat_id: NS00065217
pubchem_cid: 11971067
smiles: O=C1N(N=C(C)C1N=NC2=CC(=CC=C2S(=O)(=O)O)NC=3N=C(Cl)N=C(N3)OC(C)C)C=4C(Cl)=CC=CC4C
name:
4-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonic acid

inchi:
InChI=1/C23H22Cl2N8O5S/c1-11(2)38-23-28-21(25)27-22(29-23)26-14-8-9-17(39(35,36)37)16(10-14)30-31-18-13(4)32-33(20(18)34)19-12(3)6-5-7-15(19)24/h5-11,18H,1-4H3,(H,35,36,37)(H,26,27,28,29)


cas: 93804-40-1
formula: C38H44N12O13S3
inchikey: JGFIJDDSJSTRGD-UHFFFAOYSA-M
norman_susdat_id: NS00064371
pubchem_cid: NA
name:
Benzenesulfonic acid, 2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-5-[[4-(4-morpholinyl)-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt, compd. with 2,2'-iminobis[ethanol]

inchi:
InChI=1/C38H44N12O13S3.C4H11NO2.Na/c51-17-11-48(12-18-52)37-45-35(46-38(47-37)50-15-21-63-22-16-50)41-29-6-4-26(32(24-29)66(59,60)61)2-1-25-3-5-28(23-31(25)65(56,57)58)40-34-42-33(43-36(44-34)49-13-19-62-20-14-49)39-27-7-9-30(10-8-27)64(53,54)55;6-3-1-5-2-4-7;/h1-10,23-24,51-52H,11-22H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,41,45,46,47)(H2,39,40,42,43,44);5-7H,1-4H2;/q;;+1/p-1

smiles:
[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)O)NC=3N=C(N=C(N3)N4CCOCC4)N(CCO)CCO)NC5=NC(=NC(=N5)N6CCOCC6)NC7=CC=C(C=C7)S(=O)(=O)O.OCCNCCO


cas: 93804-41-2
formula: C20H17Br2N5O8S2
inchikey: GBBWRQRYVUWYQR-UHFFFAOYSA-N
norman_susdat_id: NS00064372
pubchem_cid: 3022430
smiles: O=C(N)NC1=CC(=CC=C1N=NC2=CC=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C(Br)CBr
name:
7-[[2-[(aminocarbonyl)amino]-4-[(2,3-dibromo-1-oxopropyl)amino]phenyl]azo]naphthalene-1,3-disulphonic acid

inchi:
InChI=1/C20H17Br2N5O8S2/c21-9-15(22)19(28)24-11-3-4-16(17(7-11)25-20(23)29)27-26-12-2-1-10-5-13(36(30,31)32)8-18(14(10)6-12)37(33,34)35/h1-8,15H,9H2,(H,24,28)(H3,23,25,29)(H,30,31,32)(H,33,34,35)


cas: 93804-42-3
formula: C17H13ClN4O5S
inchikey: QYQNJMDSCFOQHH-UHFFFAOYSA-M
norman_susdat_id: NS00064373
pubchem_cid: 3022339
smiles: [Na+].O=CC=1C=CC=C(N=NC2C(=O)N(N=C2C)C3=CC(=CC=C3Cl)S(=O)(=O)[O-])C1
name:
Sodium 4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C17H13ClN4O5S.Na/c1-10-16(20-19-12-4-2-3-11(7-12)9-23)17(24)22(21-10)15-8-13(28(25,26)27)5-6-14(15)18;/h2-9,16H,1H3,(H,25,26,27);/q;+1/p-1


cas: 93804-43-4
formula: C20H16BrN5O8S2
inchikey: KWSPROJMTOWXAO-UHFFFAOYSA-N
norman_susdat_id: NS00063887
pubchem_cid: 3022432
smiles: O=C(N)NC1=CC(=CC=C1N=NC2=CC=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C(Br)=C
name:
7-[[2-[(aminocarbonyl)amino]-4-[(2-bromo-1-oxoallyl)amino]phenyl]azo]naphthalene-1,3-disulphonic acid

inchi:
InChI=1/C20H16BrN5O8S2/c1-10(21)19(27)23-12-4-5-16(17(8-12)24-20(22)28)26-25-13-3-2-11-6-14(35(29,30)31)9-18(15(11)7-13)36(32,33)34/h2-9H,1H2,(H,23,27)(H3,22,24,28)(H,29,30,31)(H,32,33,34)


cas: 93804-44-5
formula: C20H16BrN5O8S2.2Na
inchikey: MAJZSBCHNJHCQS-UHFFFAOYSA-L
norman_susdat_id: NS00092130
smiles: [Na+].[Na+].BrC(=C)C(=O)Nc3ccc(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)c(c3)NC(N)=O
name:
Disodium 7-[[2-[(aminocarbonyl)amino]-4-[(2-bromo-1-oxoallyl)amino]phenyl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C20H16BrN5O8S2.2Na/c1-10(21)19(27)23-12-4-5-16(17(8-12)24-20(22)28)26-25-13-3-2-11-6-14(35(29,30)31)9-18(15(11)7-13)36(32,33)34;;/h2-9H,1H2,(H,23,27)(H3,22,24,28)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2


name: 2-methylheptadecyl acrylate
cas: 93804-54-7
dtxsid: DTXSID10917837
formula: C21H40O2
inchikey: AUXKWRBBFHSBHH-UHFFFAOYSA-N
norman_susdat_id: NS00065220
pubchem_cid: 3022444
smiles: O=C(OCC(C)CCCCCCCCCCCCCCC)C=C
inchi:
InChI=1/C21H40O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20(3)19-23-21(22)5-2/h5,20H,2,4,6-19H2,1,3H3


name: 2-methyloctadecyl acrylate
cas: 93804-55-8
dtxsid: DTXSID50917836
formula: C22H42O2
inchikey: KZMXOWBRTHYSGW-UHFFFAOYSA-N
norman_susdat_id: NS00065221
pubchem_cid: 3022445
smiles: O=C(OCC(C)CCCCCCCCCCCCCCCC)C=C
inchi:
InChI=1/C22H42O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(3)20-24-22(23)5-2/h5,21H,2,4,6-20H2,1,3H3


name: 2-methylnonadecyl acrylate
cas: 93804-56-9
dtxsid: DTXSID90917835
formula: C23H44O2
inchikey: FCAXOVLLASPKFQ-UHFFFAOYSA-N
norman_susdat_id: NS00064009
pubchem_cid: 3022446
smiles: O=C(OCC(C)CCCCCCCCCCCCCCCCC)C=C
inchi:
InChI=1/C23H44O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(3)21-25-23(24)5-2/h5,22H,2,4,6-21H2,1,3H3


name: Diethyl(2-hydroxy-3-tetradecyloxypropyl)[2-[(1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 93804-69-4
dtxsid: DTXSID90917830
formula: C26H52NO4
inchikey: FGXGQSDIZUIGLU-UHFFFAOYSA-M
norman_susdat_id: NS00063892
pubchem_cid: 3022454
smiles: [Cl-].O=C(OCC[N+](CC)(CC)CC(O)COCCCCCCCCCCCCCC)C=C
inchi:
InChI=1/C26H52NO4.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-19-21-30-24-25(28)23-27(7-3,8-4)20-22-31-26(29)6-2;/h6,25,28H,2,5,7-24H2,1,3-4H3;1H/q+1;/p-1


name: [3-(dodecyloxy)-2-hydroxypropyl]diethyl[2-[(1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 93804-70-7
dtxsid: DTXSID80917829
formula: C24H48NO4
inchikey: PDWXNMXQEKQSQA-UHFFFAOYSA-M
norman_susdat_id: NS00063893
pubchem_cid: 3022456
smiles: [Cl-].O=C(OCC[N+](CC)(CC)CC(O)COCCCCCCCCCCCC)C=C
inchi:
InChI=1/C24H48NO4.ClH/c1-5-9-10-11-12-13-14-15-16-17-19-28-22-23(26)21-25(7-3,8-4)18-20-29-24(27)6-2;/h6,23,26H,2,5,7-22H2,1,3-4H3;1H/q+1;/p-1


name: N,N-diethyl-N,N',N'-trimethyl-N'-[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ethylenediammonium dichloride
cas: 93804-73-0
dtxsid: DTXSID00917826
formula: C15H32N2O2
inchikey: MAZXYWYFDYGLBS-UHFFFAOYSA-L
norman_susdat_id: NS00064395
pubchem_cid: 44149932
smiles: [Cl-].[Cl-].O=C(OCC[N+](C)(C)CC[N+](C)(CC)CC)C(=C)C
inchi:
InChI=1/C15H32N2O2.2ClH/c1-8-17(7,9-2)11-10-16(5,6)12-13-19-15(18)14(3)4;;/h3,8-13H2,1-2,4-7H3;2*1H/q+2;;/p-2


name: Sodium N-(carboxymethyl)-N-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]glycinate
cas: 93804-76-3
dtxsid: DTXSID80917824
formula: C26H50N2O6
inchikey: MCNXKRRYKFUXDG-UHFFFAOYSA-M
norman_susdat_id: NS00064396
pubchem_cid: 57356103
smiles: [Na+].O=C([O-])CN(CC(=O)O)CCN(C(=O)CCCCCCCCCCCCCCCCC)CCO
inchi:
InChI=1/C26H50N2O6.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)28(20-21-29)19-18-27(22-25(31)32)23-26(33)34;/h29H,2-23H2,1H3,(H,31,32)(H,33,34);/q;+1/p-1


name: [3-chloro-2-hydroxypropyl]diethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 93804-78-5
dtxsid: DTXSID60917822
formula: C13H25ClNO3
inchikey: UBFIULPXXGFOHV-UHFFFAOYSA-M
norman_susdat_id: NS00064013
pubchem_cid: 3022463
smiles: [Cl-].O=C(OCC[N+](CC)(CC)CC(O)CCl)C(=C)C
inchi:
InChI=1/C13H25ClNO3.ClH/c1-5-15(6-2,10-12(16)9-14)7-8-18-13(17)11(3)4;/h12,16H,3,5-10H2,1-2,4H3;1H/q+1;/p-1


name: N-(9,10-dichloro-1-oxooctadecyl)-L-aspartic acid
cas: 93804-79-6
dtxsid: DTXSID00917821
formula: C22H39Cl2NO5
inchikey: AZCXHZWXALPJBY-ACBHZAAOSA-N
norman_susdat_id: NS00064014
pubchem_cid: 44154306
smiles: O=C(O)CC(NC(=O)CCCCCCCC(Cl)C(Cl)CCCCCCCC)C(=O)O
inchi:
InChI=1/C22H39Cl2NO5/c1-2-3-4-5-7-10-13-17(23)18(24)14-11-8-6-9-12-15-20(26)25-19(22(29)30)16-21(27)28/h17-19H,2-16H2,1H3,(H,25,26)(H,27,28)(H,29,30)


name: 5-oxo-L-proline, compound with 3',4'-dihydroxy-2-(methylamino)acetophenone (1:1)
cas: 93804-82-1
formula: C9H11NO3.C5H7NO3
inchikey: FFQNWEOMFMQVFL-HVDRVSQOSA-N
norman_susdat_id: NS00091927
smiles: CNCC(=O)c1ccc(O)c(O)c1.OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1/C9H11NO3.C5H7NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;7-4-2-1-3(6-4)5(8)9/h2-4,10-12H,5H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 2-(dimethylamino)ethyl 4-(butylamino)benzoate (1:1)
cas: 93804-83-2
formula: C15H24N2O2.C5H7NO3
inchikey: SOOSYBCXUGDXOV-HVDRVSQOSA-N
norman_susdat_id: NS00091941
smiles: CCCCNc1ccc(cc1)C(=O)OCCN(C)C.OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1/C15H24N2O2.C5H7NO3/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;7-4-2-1-3(6-4)5(8)9/h6-9,16H,4-5,10-12H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with a-bicyclo[2.2.1]hept-5-en-2-yl-a-phenylpiperidine-1-propanol (1:1)
cas: 93804-84-3
formula: C21H29NO.C5H7NO3
inchikey: FHINORBAQBNMKN-HVDRVSQOSA-N
norman_susdat_id: NS00091942
smiles: OC(=O)[C@@H]1CCC(=O)N1.OC(CCN2CCCCC2)(C3CC4CC3C=C4)c5ccccc5
inchi:
InChI=1/C21H29NO.C5H7NO3/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17;7-4-2-1-3(6-4)5(8)9/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 2-(diethylamino)ethyl 4-amino-3-butoxybenzoate (1:1)
cas: 93804-86-5
formula: C17H28N2O3.C5H7NO3
inchikey: UJHZHKONPDUZGO-HVDRVSQOSA-N
norman_susdat_id: NS00092570
smiles: CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC.OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1/C17H28N2O3.C5H7NO3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;7-4-2-1-3(6-4)5(8)9/h8-9,13H,4-7,10-12,18H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 2-[2-[4-(4-chlorobenzhydryl)-1-piperazinyl]ethoxy]ethanol (2:1)
cas: 93804-87-6
formula: C21H27ClN2O2.2C5H7NO3
inchikey: RIIUMTQCSBMKTF-YHUPNWGDSA-N
norman_susdat_id: NS00091943
smiles: OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3.OC(=O)[C@@H]4CCC(=O)N4.OC(=O)[C@@H]5CCC(=O)N5
inchi:
InChI=1/C21H27ClN2O2.2C5H7NO3/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25;2*7-4-2-1-3(6-4)5(8)9/h1-9,21,25H,10-17H2;2*3H,1-2H2,(H,6,7)(H,8,9)


name: 9-fluoro-11ß,17-dihydroxy-16ß-methyl-3,20-dioxopregna-1,4-dien-21-yl 5-oxo-L-prolinate
cas: 93804-88-7
dtxsid: DTXSID10917812
formula: C27H34FNO7
inchikey: XNIWLMBDWOLLBA-KYAVKBBUSA-N
norman_susdat_id: NS00064438
pubchem_cid: 57356105
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)C5NC(=O)CC5)C4(C)CC(O)C32F)C
inchi:
InChI=1/C27H34FNO7/c1-14-10-18-17-5-4-15-11-16(30)8-9-24(15,2)26(17,28)20(31)12-25(18,3)27(14,35)21(32)13-36-23(34)19-6-7-22(33)29-19/h8-9,11,14,17-20,31,35H,4-7,10,12-13H2,1-3H3,(H,29,33)


cas: 93804-90-1
formula: C17H17NO2.C5H7NO3
inchikey: CVWLJKGFNVKDCY-KXDZPWPNSA-N
norman_susdat_id: NS00092159
smiles: CN1CCc2cccc3c2[C@H]1Cc4ccc(O)c(O)c34.OC(=O)[C@@H]5CCC(=O)N5
name:
5-oxo-L-proline, compound with (R)-5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo[de,g]quinoline-10,11-diol (1:1)

inchi:
InChI=1/C17H17NO2.C5H7NO3/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;7-4-2-1-3(6-4)5(8)9/h2-6,13,19-20H,7-9H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)


cas: 93804-91-2
formula: C23H29NO3.C5H7NO3
inchikey: LZRKSBLMANVHTK-HVDRVSQOSA-N
norman_susdat_id: NS00092571
smiles: CCOC(=O)C1(CCN(CCC(O)c2ccccc2)CC1)c3ccccc3.OC(=O)[C@@H]4CCC(=O)N4
name:
5-oxo-L-proline, compound with ethyl 1-(3-hydroxy-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate (1:1)

inchi:
InChI=1/C23H29NO3.C5H7NO3/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19;7-4-2-1-3(6-4)5(8)9/h3-12,21,25H,2,13-18H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 2-amino-2-deoxy-D-glucose (1:1)
cas: 93804-92-3
formula: C6H13NO5.C5H7NO3
inchikey: RLBLQOIEGKSRGT-BCLLBKCYSA-N
norman_susdat_id: NS00091880
smiles: N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1/C6H13NO5.C5H7NO3/c7-3(1-8)5(11)6(12)4(10)2-9;7-4-2-1-3(6-4)5(8)9/h1,3-6,9-12H,2,7H2;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with a-(1-aminoethyl)benzyl alcohol (1:1)
cas: 93804-93-4
formula: C9H13NO.C5H7NO3
inchikey: AABUXZMOFROJNY-HVDRVSQOSA-N
norman_susdat_id: NS00091958
smiles: CC(N)C(O)c1ccccc1.OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1/C9H13NO.C5H7NO3/c1-7(10)9(11)8-5-3-2-4-6-8;7-4-2-1-3(6-4)5(8)9/h2-7,9,11H,10H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)


name: (S)-2-deoxy-2-[[(5-oxo-2-pyrrolidinyl)carbonyl]amino]-D-glucose
cas: 93804-95-6
dtxsid: DTXSID00917806
formula: C11H18N2O7
inchikey: YIMATNRWPCRPAU-XIVIHSRLSA-N
norman_susdat_id: NS00065248
pubchem_cid: 5320809
smiles: O=CC(NC(=O)C1NC(=O)CC1)C(O)C(O)C(O)CO
inchi:
InChI=1/C11H18N2O7/c14-3-6(9(18)10(19)7(16)4-15)13-11(20)5-1-2-8(17)12-5/h3,5-7,9-10,15-16,18-19H,1-2,4H2,(H,12,17)(H,13,20)


name: p-[[2-methoxy-4-[(2-methoxyphenyl)azo]-5-methylphenyl]azo]phenol
cas: 93805-00-6
formula: C21H20N4O3
inchikey: HCIDJVSSBKXSRX-UHFFFAOYSA-N
norman_susdat_id: NS00065249
pubchem_cid: 3022466
smiles: OC1=CC=C(N=NC2=CC(=C(N=NC=3C=CC=CC3OC)C=C2OC)C)C=C1
inchi:
InChI=1/C21H20N4O3/c1-14-12-19(25-22-15-8-10-16(26)11-9-15)21(28-3)13-18(14)24-23-17-6-4-5-7-20(17)27-2/h4-13,26H,1-3H3


name: Sodium 2-[[1-(2-ethylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoate
cas: 93805-01-7
formula: C19H18N4O3.Na
inchikey: SJACULLOQZUZJS-UHFFFAOYSA-M
norman_susdat_id: NS00092591
smiles: [Na+].[O-]C(=O)c3ccccc3N=NC2C(\C)=N/N(c1ccccc1CC)C2=O
inchi:
InChI=1/C19H18N4O3.Na/c1-3-13-8-4-7-11-16(13)23-18(24)17(12(2)22-23)21-20-15-10-6-5-9-14(15)19(25)26;/h4-11,17H,3H2,1-2H3,(H,25,26);/q;+1/p-1


name: Disodium 4-[bis[4-(dimethylamino)phenyl]methyl]-3-hydroxynaphthalene-2,7-disulphonate
cas: 93805-02-8
formula: C27H28N2O7S2.2Na
inchikey: JIVZRIUOOMKRKW-UHFFFAOYSA-L
norman_susdat_id: NS00092171
smiles: [Na+].[Na+].CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3c(O)c(cc4cc(ccc34)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C27H28N2O7S2.2Na/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36;;/h5-16,25,30H,1-4H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2


name: Disodium 4-[bis[4-[ethyl(phenylmethyl)amino]phenyl]methyl]benzene-1,3-disulphonate
cas: 93805-03-9
formula: C37H38N2O6S2.2Na
inchikey: LYWDEKMKOSAITN-UHFFFAOYSA-L
norman_susdat_id: NS00091959
smiles: [Na+].[Na+].CCN(Cc1ccccc1)c2ccc(cc2)C(c3ccc(cc3)N(CC)Cc4ccccc4)c5ccc(cc5S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C37H38N2O6S2.2Na/c1-3-38(26-28-11-7-5-8-12-28)32-19-15-30(16-20-32)37(35-24-23-34(46(40,41)42)25-36(35)47(43,44)45)31-17-21-33(22-18-31)39(4-2)27-29-13-9-6-10-14-29;;/h5-25,37H,3-4,26-27H2,1-2H3,(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2


name: 2-(((2-Methyl-5-nitrophenyl)sulphonyl)amino)benzoic acid
cas: 93805-04-0
chemspiderid: 2218897
dtxsid: DTXSID60239697
formula: C14H12N2O6S1
inchikey: HTZHIPSYUAFAFE-UHFFFAOYSA-N
norman_susdat_id: NS00039639
pubchem_cid: 2945737
smiles: Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)Nc1c(cccc1)C(=O)O
inchi:
InChI=1S/C14H12N2O6S/c1-9-6-7-10(16(19)20)8-13(9)23(21,22)15-12-5-3-2-4-11(12)14(17)18/h2-8,15H,1H3,(H,17,18)


name: N,N'-bis(2,4-dinitrophenyl)benzene-1,4-diamine
cas: 93805-13-1
dtxsid: DTXSID40917800
formula: C18H16N6O8
inchikey: NSEVVJIYKQUECO-UHFFFAOYSA-N
norman_susdat_id: NS00065258
pubchem_cid: 5239640
smiles: O=[N+]([O-])C1=CC=C(NC2=CC=C(C=C2)NC3=CC=C(C=C3[N+](=O)[O-])[N+](=O)[O-])C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C18H12N6O8/c25-21(26)13-5-7-15(17(9-13)23(29)30)19-11-1-2-12(4-3-11)20-16-8-6-14(22(27)28)10-18(16)24(31)32/h1-10,19-20H


cas: 93805-14-2
formula: C44H30Cl2N14O20S6
inchikey: IXANHRIECIXNKD-UHFFFAOYSA-H
norman_susdat_id: NS00064073
pubchem_cid: NA
name:
Hexapotassium 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate]

inchi:
InChI=1/C44H30Cl2N14O20S6.6K/c45-39-51-41(55-43(53-39)49-27-17-23(81(63,64)65)13-19-15-31(85(75,76)77)35(37(61)33(19)27)59-57-25-5-1-3-7-29(25)83(69,70)71)47-21-9-11-22(12-10-21)48-42-52-40(46)54-44(56-42)50-28-18-24(82(66,67)68)14-20-16-32(86(78,79)80)36(38(62)34(20)28)60-58-26-6-2-4-8-30(26)84(72,73)74;;;;;;/h1-18,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,47,49,51,53,55)(H2,48,50,52,54,56);;;;;;/q;6*+1/p-6

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C=CC=CC3S(=O)(=O)[O-])C(O)=C2C(=C1)NC=4N=C(Cl)N=C(N4)NC5=CC=C(C=C5)NC6=NC(Cl)=NC(=N6)NC7=CC(=CC8=CC(=C(N=NC=9C=CC=CC9S(=O)(=O)[O-])C(O)=C87)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]


name: N-[5-[bis(3-phenylpropyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]phenyl]acetamide
cas: 93805-16-4
formula: C32H33BrN6O5
inchikey: HOJCJDQEQDBSJL-UHFFFAOYSA-N
norman_susdat_id: NS00065662
pubchem_cid: 3022473
smiles: O=C(NC1=CC(=CC=C1N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CCCC=3C=CC=CC3)CCCC=4C=CC=CC4)C
inchi:
InChI=1/C32H31BrN6O5/c1-23(40)34-30-21-26(16-17-29(30)35-36-32-28(33)20-27(38(41)42)22-31(32)39(43)44)37(18-8-14-24-10-4-2-5-11-24)19-9-15-25-12-6-3-7-13-25/h2-7,10-13,16-17,20-22H,8-9,14-15,18-19H2,1H3,(H,34,40)


name: N-(3-((3-Phenylpropyl)amino)phenyl)acetamide
cas: 93805-17-5
chemspiderid: 2288968
dtxsid: DTXSID90239701
formula: C17H20N2O1
inchikey: WAWKQABTSMQFSD-UHFFFAOYSA-N
norman_susdat_id: NS00039642
pubchem_cid: 3022474
smiles: CC(=O)Nc1cc(NCCCc2ccccc2)ccc1
inchi:
InChI=1S/C17H20N2O/c1-14(20)19-17-11-5-10-16(13-17)18-12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,13,18H,6,9,12H2,1H3,(H,19,20)


name: Methyl N-[5-(acetylamino)-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-ethyl-ß-alaninate
cas: 93805-18-6
formula: C21H25ClN6O8
inchikey: QNBFBSBKIRJEOT-UHFFFAOYSA-N
norman_susdat_id: NS00064365
pubchem_cid: 44153021
smiles: O=C(OC)CCN(C1=CC(NC(=O)C)=C(N=NC2=C(Cl)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C=C1OC)CC
inchi:
InChI=1/C21H23ClN6O8/c1-5-26(7-6-20(30)36-4)17-10-15(23-12(2)29)16(11-19(17)35-3)24-25-21-14(22)8-13(27(31)32)9-18(21)28(33)34/h8-11H,5-7H2,1-4H3,(H,23,29)


name: Methyl N-[5-(acetylamino)-2-methoxyphenyl]-N-ethyl-ß-alaninate
cas: 93805-19-7
dtxsid: DTXSID30917798
formula: C15H22N2O4
inchikey: KNYQDMRTXCOQPL-UHFFFAOYSA-N
norman_susdat_id: NS00064492
pubchem_cid: 44147890
smiles: O=C(OC)CCN(C1=CC(=CC=C1OC)NC(=O)C)CC
inchi:
InChI=1/C15H22N2O4/c1-5-17(9-8-15(19)21-4)13-10-12(16-11(2)18)6-7-14(13)20-3/h6-7,10H,5,8-9H2,1-4H3,(H,16,18)


name: N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxoanthryl)propionamide
cas: 93805-20-0
dtxsid: DTXSID70917797
formula: C17H13BrN2O3
inchikey: IJYAJCZEDGJGQT-UHFFFAOYSA-N
norman_susdat_id: NS00064885
pubchem_cid: 5744141
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC(Br)=C(N)C13)NC(=O)CC
inchi:
InChI=1/C17H13BrN2O3/c1-2-12(21)20-11-7-10(18)15(19)14-13(11)16(22)8-5-3-4-6-9(8)17(14)23/h3-7H,2,19H2,1H3,(H,20,21)


name: 3,7-dimethyl-6-octenyl phenoxyacetate
cas: 93805-22-2
dtxsid: DTXSID50917795
formula: C18H26O3
inchikey: OCXSQRQMLDBSSJ-UHFFFAOYSA-N
norman_susdat_id: NS00064493
pubchem_cid: 16205800
smiles: O=C(OCCC(C)CCC=C(C)C)COC=1C=CC=CC1
inchi:
InChI=1/C18H26O3/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-21-17-10-5-4-6-11-17/h4-6,8,10-11,16H,7,9,12-14H2,1-3H3


name: Bis(2-methylbutyl) sebacate
cas: 93805-24-4
dtxsid: DTXSID90917794
formula: C20H38O4
inchikey: GFEOHRFVFWCUNN-UHFFFAOYSA-N
norman_susdat_id: NS00064495
pubchem_cid: 3022478
smiles: O=C(OCC(C)CC)CCCCCCCCC(=O)OCC(C)CC
inchi:
InChI=1/C20H38O4/c1-5-17(3)15-23-19(21)13-11-9-7-8-10-12-14-20(22)24-16-18(4)6-2/h17-18H,5-16H2,1-4H3


name: Cyclohexyl docosanoate
cas: 93805-36-8
chemspiderid: 2288978
dtxsid: DTXSID30239705
formula: C28H54O2
inchikey: OZWZNKGRBDNXNC-UHFFFAOYSA-N
norman_susdat_id: NS00039644
pubchem_cid: 3022484
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCCCC1
inchi:
InChI=1S/C28H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-28(29)30-27-24-21-20-22-25-27/h27H,2-26H2,1H3


name: 2-(Ethyl(3-methylphenyl)amino)ethyl 3-(trichloromethyl)benzoate
cas: 93805-37-9
chemspiderid: 2288979
dtxsid: DTXSID90239706
formula: C19H20Cl3N1O2
inchikey: WQSYEFNVEXAEBY-UHFFFAOYSA-N
norman_susdat_id: NS00039645
pubchem_cid: 3022485
smiles: CCN(CCOC(=O)c1cc(ccc1)C(Cl)(Cl)Cl)c1cc(C)ccc1
inchi:
InChI=1S/C19H20Cl3NO2/c1-3-23(17-9-4-6-14(2)12-17)10-11-25-18(24)15-7-5-8-16(13-15)19(20,21)22/h4-9,12-13H,3,10-11H2,1-2H3


name: 3-[[4-[(5,6-dichlorobenzothiazol-2-yl)azo]phenyl](3-phenylpropyl)amino]propiononitrile
cas: 93805-38-0
formula: C25H21Cl2N5S
inchikey: SNEPMTPGGMIAJU-UHFFFAOYSA-N
norman_susdat_id: NS00064522
pubchem_cid: 3022486
smiles: N#CCCN(C1=CC=C(N=NC2=NC=3C=C(Cl)C(Cl)=CC3S2)C=C1)CCCC=4C=CC=CC4
inchi:
InChI=1/C25H21Cl2N5S/c26-21-16-23-24(17-22(21)27)33-25(29-23)31-30-19-9-11-20(12-10-19)32(15-5-13-28)14-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,16-17H,4-5,8,14-15H2


name: 3-bromo-2-[[4-(diethylamino)-o-tolyl]azo]-5-nitrobenzonitrile
cas: 93805-39-1
formula: C18H19BrN5O2
inchikey: LERADLVSVWXSST-UHFFFAOYSA-N
norman_susdat_id: NS00064407
pubchem_cid: 3022487
smiles: N#CC1=CC(=CC(Br)=C1N=NC2=CC=C(C=C2C)N(CC)CC)[N+](=O)[O-]
inchi:
InChI=1/C18H18BrN5O2/c1-4-23(5-2)14-6-7-17(12(3)8-14)21-22-18-13(11-20)9-15(24(25)26)10-16(18)19/h6-10H,4-5H2,1-3H3


name: 4-[(2,6-dibromo-4-nitrophenyl)azo]-N,N-diethyl-m-toluidine
cas: 93805-40-4
formula: C17H19Br2N4O2
inchikey: PQCULTOIAQBXSU-UHFFFAOYSA-N
norman_susdat_id: NS00064408
pubchem_cid: 3022488
smiles: O=[N+]([O-])C1=CC(Br)=C(N=NC2=CC=C(C=C2C)N(CC)CC)C(Br)=C1
inchi:
InChI=1/C17H18Br2N4O2/c1-4-22(5-2)12-6-7-16(11(3)8-12)20-21-17-14(18)9-13(23(24)25)10-15(17)19/h6-10H,4-5H2,1-3H3


name: p-[[4-[(p-hydroxyphenyl)azo]-o-tolyl]azo]-N,N-dimethylbenzenesulphonamide
cas: 93805-41-5
formula: C21H21N5O3S
inchikey: XCNHNPFUBLPDED-UHFFFAOYSA-N
norman_susdat_id: NS00064409
pubchem_cid: 3022489
smiles: O=S(=O)(C1=CC=C(N=NC2=CC=C(N=NC3=CC=C(O)C=C3)C=C2C)C=C1)N(C)C
inchi:
InChI=1/C21H21N5O3S/c1-15-14-18(24-22-16-4-9-19(27)10-5-16)8-13-21(15)25-23-17-6-11-20(12-7-17)30(28,29)26(2)3/h4-14,27H,1-3H3


name: p-[(4-amino-o-tolyl)azo]-N,N-dimethylbenzenesulphonamide
cas: 93805-42-6
formula: C15H18N4O2S
inchikey: SMSKXAUMUGPIAO-UHFFFAOYSA-N
norman_susdat_id: NS00064523
pubchem_cid: 3022490
smiles: O=S(=O)(C1=CC=C(N=NC2=CC=C(N)C=C2C)C=C1)N(C)C
inchi:
InChI=1/C15H18N4O2S/c1-11-10-12(16)4-9-15(11)18-17-13-5-7-14(8-6-13)22(20,21)19(2)3/h4-10H,16H2,1-3H3


name: Disodium 3-[[4-[(4-amino-1-naphthyl)azo]-2,5-dimethylphenyl]azo]naphthalene-1,5-disulphonate
cas: 93805-43-7
formula: C28H23N5O6S2
inchikey: ZMDYHEYGYVBFAD-UHFFFAOYSA-L
norman_susdat_id: NS00064524
pubchem_cid: 11971140
inchi:
InChI=1/C28H23N5O6S2.2Na/c1-16-13-26(33-31-24-11-10-23(29)19-6-3-4-7-20(19)24)17(2)12-25(16)32-30-18-14-22-21(28(15-18)41(37,38)39)8-5-9-27(22)40(34,35)36;;/h3-15H,29H2,1-2H3,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=CC=2C1=CC(N=NC=3C=C(C(N=NC4=CC=C(N)C=5C=CC=CC45)=CC3C)C)=CC2S(=O)(=O)[O-]


name: Disodium 7-amino-4-hydroxy-3-[(2-hydroxy-5-sulphonatophenyl)azo]naphthalene-2-sulphonate
cas: 93805-44-8
formula: C16H13N3O8S2
inchikey: WYSVXQWKMJTQHW-UHFFFAOYSA-L
norman_susdat_id: NS00064525
pubchem_cid: 110566
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C(O)C(N=NC=2C(O)=C3C=CC(N)=CC3=CC2S(=O)(=O)[O-])=C1
inchi:
InChI=1/C16H13N3O8S2.2Na/c17-9-1-3-11-8(5-9)6-14(29(25,26)27)15(16(11)21)19-18-12-7-10(28(22,23)24)2-4-13(12)20;;/h1-7,20-21H,17H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


name: 2-[(2-isocyanatocyclohexyl)methyl]-p-tolyl isocyanate
cas: 93805-52-8
dtxsid: DTXSID60917786
formula: C16H18N2O2
inchikey: CXFJDACSYSPPFS-UHFFFAOYSA-N
norman_susdat_id: NS00065712
pubchem_cid: 3022499
smiles: O=C=NC1=CC=C(C=C1CC2CCCCC2N=C=O)C
inchi:
InChI=1/C16H18N2O2/c1-12-6-7-16(18-11-20)14(8-12)9-13-4-2-3-5-15(13)17-10-19/h6-8,13,15H,2-5,9H2,1H3


name: 5,5,9,9-tetrabutyl-7-oxo-6,8-dioxa-7-sila-5,9-distannatridecane
cas: 93805-54-0
formula: C24H54O3SiSn2
inchikey: CTTXCFXWBKAHLS-UHFFFAOYSA-N
norman_susdat_id: NS00064526
pubchem_cid: NA
smiles: O=[Si](O[Sn](CCCC)(CCCC)CCCC)O[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/6C4H9.O3Si.2Sn/c6*1-3-4-2;1-4(2)3;;/h6*1,3-4H2,2H3;;;/q;;;;;;-2;2*+1/rC24H54O3SiSn2/c1-7-13-19-29(20-14-8-2,21-15-9-3)26-28(25)27-30(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3


name: 1,3,3-trimethyl-2-[[(2-nitrophenyl)hydrazono]methyl]-3H-indolium acetate
cas: 93805-60-8
formula: C18H19N4O2.C2H3O2
inchikey: WQVNZRMURSRMKU-UHFFFAOYSA-N
norman_susdat_id: NS00092214
smiles: [O-]C(C)=O.[O-][N+](=O)c3ccccc3NN=C\C2=[N+](/C)c1ccccc1C2(C)C
inchi:
InChI=1/C18H18N4O2.C2H4O2/c1-18(2)13-8-4-6-10-15(13)21(3)17(18)12-19-20-14-9-5-7-11-16(14)22(23)24;1-2(3)4/h4-12H,1-3H3;1H3,(H,3,4)


name: Ethyl 3-methyl-3-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)vinyl]oxirane-2-carboxylate
cas: 93805-68-6
formula: C17H26O3
inchikey: BSKRNVMSMUYCJR-PKNBQFBNSA-N
norman_susdat_id: NS00064542
pubchem_cid: 5744145
smiles: O=C(OCC)C1OC1(C=CC2C(=CCCC2(C)C)C)C
inchi:
InChI=1/C17H26O3/c1-6-19-15(18)14-17(5,20-14)11-9-13-12(2)8-7-10-16(13,3)4/h8-9,11,13-14H,6-7,10H2,1-5H3


name: 1-methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)allyl phenylacetate
cas: 93805-75-5
formula: C21H28O2
inchikey: JLOVXOSAZQUCOT-OUKQBFOZSA-N
norman_susdat_id: NS00064953
pubchem_cid: 16205804
smiles: O=C(OC(C=CC1C(=CCCC1(C)C)C)C)CC=2C=CC=CC2
inchi:
InChI=1/C21H28O2/c1-16-9-8-14-21(3,4)19(16)13-12-17(2)23-20(22)15-18-10-6-5-7-11-18/h5-7,9-13,17,19H,8,14-15H2,1-4H3


name: L-lysine citrate
cas: 93805-81-3
formula: C6H14N2O2.C6H8O7
inchikey: MPOCIPREOMFUSB-JEDNCBNOSA-N
norman_susdat_id: NS00092223
smiles: NCCCC[C@H](N)C(=O)O.OC(=O)CC(O)(CC(=O)O)C(=O)O
inchi:
InChI=1/C6H14N2O2.C6H8O7/c7-4-2-1-3-5(8)6(9)10;7-3(8)1-6(13,5(11)12)2-4(9)10/h5H,1-4,7-8H2,(H,9,10);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: Calcium DL-methionate (1:2)
cas: 93805-84-6
formula: C5H11NO2S.1/2Ca
inchikey: KNAOPNYRMHNYQI-QDILMJESSA-L
norman_susdat_id: NS00092437
smiles: [CaH2].CSCC[C@H](N)C(=O)[O-].CSCC[C@H](N)C(=O)[O-]
inchi:
InChI=1/2C5H11NO2S.Ca.2H/c2*1-9-3-2-4(6)5(7)8;;;/h2*4H,2-3,6H2,1H3,(H,7,8);;;/q;;+2;;/p-2/r2C5H11NO2S.CaH2/c2*1-9-3-2-4(6)5(7)8;/h2*4H,2-3,6H2,1H3,(H,7,8);1H2/q;;+2/p-2


name: Calcium (Z)-N-(3-carboxylato-1-oxoallyl)-DL-methionate
cas: 93805-85-7
formula: C9H13NO5S.Ca
inchikey: BHDKTWMJUWZWNU-NNGYGUDKSA-L
norman_susdat_id: NS00092155
smiles: [Ca+2].CSCC[C@H](NC(=O)\C=C/C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C9H13NO5S.Ca/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13;/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)(H,14,15);/q;+2/p-2


name: Disodium (Z)-N-(3-carboxylato-1-oxoallyl)-DL-methionate
cas: 93805-86-8
formula: C9H13NO5S.2Na
inchikey: KSRULXRSBHHPIG-NOEALFQGSA-L
norman_susdat_id: NS00092438
smiles: [Na+].[Na+].CSCC[C@H](NC(=O)\C=C/C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C9H13NO5S.2Na/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13;;/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)(H,14,15);;/q;2*+1/p-2


name: Calcium N-(3-carboxylato-1-oxopropyl)-DL-methionate
cas: 93805-87-9
formula: C9H15NO5S.Ca
inchikey: PTINZVAKLQSFJY-RGMNGODLSA-L
norman_susdat_id: NS00092224
smiles: [Ca+2].CSCC[C@H](NC(=O)CCC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C9H15NO5S.Ca/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13;/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15);/q;+2/p-2


name: Disodium N-(3-carboxylato-1-oxopropyl)-DL-methionate
cas: 93805-88-0
formula: C9H15NO5S.2Na
inchikey: ZDWMEVTVSSZLAW-ILKKLZGPSA-L
norman_susdat_id: NS00092439
smiles: [Na+].[Na+].CSCC[C@H](NC(=O)CCC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C9H15NO5S.2Na/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13;;/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15);;/q;2*+1/p-2


cas: 938063-63-9
chemspiderid: 26519237
formula: C10H18O3S1
inchi: InChI=1S/C10H18O3S/c1-5-10(2,3)9(12)14-7-6-8(11)13-4/h5-7H2,1-4H3
inchikey: OSAXTZWRAGDRFI-UHFFFAOYSA-N
norman_susdat_id: NS00001045
pubchem_cid: 44237239
smiles: CCC(C)(C)C(=O)SCCC(=O)OC
name:
Methyl 3-[(2,2-dimethylbutanoyl)thio]propanoate, methyl 3-[(2,2-dimethylbutanoyl)sulfanyl]propanoate


cas: 938155-33-0
dtxsid: DTXSID90882670
norman_susdat_id: NS00112001
name:
Ethenyl benzoate polymer with 2-butenoic acid, ethenyl 2,2-dimethylpropanoate, 4-(ethenyloxy)-1-butanol, 2-methyl-1-propene and 1,1,2,2-tetrafluoroethene, dihydrogen 1,2,4-benzenetricarboxylate, compd. with N,N-diethylethanamine


name: Zinc bis[O-(6-methylheptyl)] bis[O-(sec-butyl)] bis(dithiophosphate)
cas: 93819-94-4
chemspiderid: 17215541
dtxsid: DTXSID80891711
formula: C12H27O2P1S2
inchikey: JFNOTEFMYXBUBK-UHFFFAOYSA-L
norman_susdat_id: NS00019502
pubchem_cid: 22833382
smiles: CCC(C)OP(=S)(OCCCCCC(C)C)[S-].CCC(C)OP(=S)(OCCCCCC(C)C)[S-].[Zn+2]
inchi:
InChI=1S/C12H27O2PS2/c1-5-12(4)14-15(16,17)13-10-8-6-7-9-11(2)3/h11-12H,5-10H2,1-4H3,(H,16,17)/t12-/m1/s1


name: N,N-Bis(2-hydroxyethyl)-4-(perfluoro(4-ethyl-3,4-dimethylhex-2-en-2-yl)oxy)benzenesulfonamide
cas: 93819-97-7
chemspiderid: 4896806
dtxsid: DTXSID10881064
formula: C20H14F19N1O5S1
inchikey: HAONZHJETGCXMD-UHFFFAOYSA-N
norman_susdat_id: NS00019325
pubchem_cid: 3022511
smiles: OCCN(CCO)S(=O)(=O)C1=CC=C(OC(=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F)C=C1
inchi:
InChI=1S/C20H14F19NO5S/c21-14(22,23)11(13(18(31,32)33,16(27,28)19(34,35)36)17(29,30)20(37,38)39)12(15(24,25)26)45-9-1-3-10(4-2-9)46(43,44)40(5-7-41)6-8-42/h1-4,41-42H,5-8H2/b12-11+


name: Tetradecyl hydrogen sebacate
cas: 93819-98-8
dtxsid: DTXSID10917751
formula: C24H46O4
inchikey: LEFLTMHKDAIUHY-UHFFFAOYSA-N
norman_susdat_id: NS00065742
pubchem_cid: 44145303
smiles: O=C(O)CCCCCCCCC(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1/C24H46O4/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-28-24(27)21-18-15-12-11-14-17-20-23(25)26/h2-22H2,1H3,(H,25,26)


name: Docosyl hydrogen sebacate
cas: 93819-99-9
dtxsid: DTXSID50917750
formula: C32H62O4
inchikey: ZQYGIPYHSWOVIB-UHFFFAOYSA-N
norman_susdat_id: NS00065743
pubchem_cid: 44145977
smiles: O=C(O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C32H62O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-30-36-32(35)29-26-23-20-19-22-25-28-31(33)34/h2-30H2,1H3,(H,33,34)


name: 5-(3-Sulphopropoxy)isophthalic acid
cas: 93820-01-0
chemspiderid: 2288996
dtxsid: DTXSID20239719
formula: C11H12O8S1
inchikey: UTCFIWKVMIMCFB-UHFFFAOYSA-N
norman_susdat_id: NS00039650
pubchem_cid: 3022512
smiles: OC(=O)c1cc(cc(OCCCS(=O)(=O)O)c1)C(=O)O
inchi:
InChI=1S/C11H12O8S/c12-10(13)7-4-8(11(14)15)6-9(5-7)19-2-1-3-20(16,17)18/h4-6H,1-3H2,(H,12,13)(H,14,15)(H,16,17,18)


name: Dimethylbis[2-(oleoylamino)ethyl]ammonium chloride
cas: 93820-04-3
formula: C42H82N3O2
inchikey: OASFLTWQOHKUKP-JDVCJPALSA-N
norman_susdat_id: NS00064984
pubchem_cid: 20837982
smiles: [Cl-].O=C(NCC[N+](C)(C)CCNC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C42H81N3O2.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(46)43-37-39-45(3,4)40-38-44-42(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h19-22H,5-18,23-40H2,1-4H3,(H-,43,44,46,47);1H


name: 4-(2-((2-(Acetoxy)ethyl)amino)-2-oxoethoxy)-1-hydroxy-2-naphthoic acid
cas: 93820-07-6
chemspiderid: 2288997
dtxsid: DTXSID90239721
formula: C17H17N1O7
inchikey: QZZPCOBRIQUCOP-UHFFFAOYSA-N
norman_susdat_id: NS00039652
pubchem_cid: 3022516
smiles: CC(=O)OCCNC(=O)COc1cc(C(=O)O)c(O)c2ccccc12
inchi:
InChI=1S/C17H17NO7/c1-10(19)24-7-6-18-15(20)9-25-14-8-13(17(22)23)16(21)12-5-3-2-4-11(12)14/h2-5,8,21H,6-7,9H2,1H3,(H,18,20)(H,22,23)


name: (octylphenoxy)propanol
cas: 93820-21-4
dtxsid: DTXSID20917747
formula: C17H28O2
inchikey: PMECRIMQQYWYTA-UHFFFAOYSA-N
norman_susdat_id: NS00065003
pubchem_cid: 3022518
smiles: OC(OC=1C=CC=CC1CCCCCCCC)CC
inchi:
InChI=1/C17H28O2/c1-3-5-6-7-8-9-12-15-13-10-11-14-16(15)19-17(18)4-2/h10-11,13-14,17-18H,3-9,12H2,1-2H3


name: Retinol, 7,10-dihydro-10-hydroxy-, acetate
cas: 93820-51-0
formula: C22H34O3
inchikey: YRSRWAVBXGMWEI-QDYWNKSBSA-N
norman_susdat_id: NS00063920
pubchem_cid: NA
smiles: O=C(OCC=C(C=CC(O)C(=CCC1=C(C)CCCC1(C)C)C)C)C
inchi:
InChI=1/C22H34O3/c1-16(13-15-25-19(4)23)9-12-21(24)18(3)10-11-20-17(2)8-7-14-22(20,5)6/h9-10,12-13,21,24H,7-8,11,14-15H2,1-6H3


name: L-ornithine (a-oxobenzenepropionate)
cas: 93838-90-5
formula: C9H8O3.C5H12N2O2
inchikey: CYDIXPPRSKKSHT-VWMHFEHESA-N
norman_susdat_id: NS00092150
smiles: NCCC[C@H](N)C(=O)O.OC(=O)C(=O)Cc1ccccc1
inchi:
InChI=1/C9H8O3.C5H12N2O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;6-3-1-2-4(7)5(8)9/h1-5H,6H2,(H,11,12);4H,1-3,6-7H2,(H,8,9)


name: (+)-4-amino-5-(aminosulphonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxybenzamide
cas: 93838-91-6
formula: C15H24N4O4S
inchikey: LPMXVPCRYKKYRR-UHFFFAOYSA-N
norman_susdat_id: NS00092409
smiles: CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)S(=O)(=O)N
inchi:
InChI=1/C15H24N4O4S/c1-3-19-6-4-5-10(19)9-18-15(20)11-7-14(24(17,21)22)12(16)8-13(11)23-2/h7-8,10H,3-6,9,16H2,1-2H3,(H,18,20)(H2,17,21,22)


cas: 93838-97-2
dtxsid: DTXSID30917672
formula: C25H29N2O4
inchikey: VRRBHVVBCRFGKF-UHFFFAOYSA-M
norman_susdat_id: NS00064316
pubchem_cid: NA
smiles: [I-].O1C2=CC=C(OC)C=C2N(C1=CC(=CC=3OC=4C=CC(OC)=CC4[N+]3CC)CC)CC
name:
3-ethyl-2-[2-[(3-ethyl-5-methoxy-3H-benzoxazol-2-ylidene)methyl]but-1-enyl]-5-methoxybenzoxazolium iodide

inchi:
InChI=1/C25H29N2O4.HI/c1-6-17(13-24-26(7-2)20-15-18(28-4)9-11-22(20)30-24)14-25-27(8-3)21-16-19(29-5)10-12-23(21)31-25;/h9-16H,6-8H2,1-5H3;1H/q+1;/p-1


cas: 93838-99-4
formula: C23H25N2O2Se2.I
inchi: -
inchikey: URWKGTZRIOHYOE-UHFFFAOYSA-M
norman_susdat_id: NS00092098
smiles: [I-].CC[n+]3c4cc(OC)ccc4[se]c3C=CC=C2[Se]c1ccc(cc1N2CC)OC
name:
3-ethyl-2-[3-(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)prop-1-enyl]-5-methoxybenzoselenazolium iodide


cas: 93839-00-0
formula: C32H30ClN4OSSe.I
inchikey: SBGZIEIUMAZYSW-UHFFFAOYSA-M
norman_susdat_id: NS00092353
smiles: [I-].CC[n+]5c6cc(Cl)ccc6sc5C=C4N(CC)C(=O)C(=CC=C2[Se]c1ccccc1N2CC)N4c3ccccc3
name:
5-chloro-3-ethyl-2-[[1-ethyl-4-[(3-ethyl-3H-benzoselenazol-2-ylidene)ethylidene]-5-oxo-3-phenylimidazolidin-2-ylidene]methyl]benzothiazolium iodide

inchi:
InChI=1/C32H30ClN4OSSe.HI/c1-4-34-26-20-22(33)16-18-27(26)39-30(34)21-29-36(6-3)32(38)25(37(29)23-12-8-7-9-13-23)17-19-31-35(5-2)24-14-10-11-15-28(24)40-31;/h7-21H,4-6H2,1-3H3;1H/q+1;/p-1


name: N-acetyl-L-valine, compound with 2-(dimethylamino)ethanol (1:1)
cas: 93839-03-3
formula: C7H13NO3.C4H11NO
inchikey: HPGDEHCKFBUQFW-RGMNGODLSA-N
norman_susdat_id: NS00091739
smiles: CC(C)[C@H](NC(=O)C)C(=O)O.CN(C)CCO
inchi:
InChI=1/C7H13NO3.C4H11NO/c1-4(2)6(7(10)11)8-5(3)9;1-5(2)3-4-6/h4,6H,1-3H3,(H,8,9)(H,10,11);6H,3-4H2,1-2H3


name: 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl stearate
cas: 93839-05-5
dtxsid: DTXSID40917668
formula: C28H52O2
inchikey: MSCSYRZMJVLHSI-UHFFFAOYSA-N
norman_susdat_id: NS00064798
pubchem_cid: 44144800
smiles: O=C(OC1C2(C)CCC(C2)C1(C)C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-26-27(2,3)24-21-22-28(26,4)23-24/h24,26H,5-23H2,1-4H3


name: Di(octadec-9-enyl) hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 93839-08-8
formula: C36H71O4P.C6H15NO3
inchikey: BCIXRYWZVNSFHO-UHFFFAOYSA-N
norman_susdat_id: NS00091882
smiles: OCCN(CCO)CCO.OP(=O)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C36H71O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h17-20H,3-16,21-36H2,1-2H3,(H,37,38);8-10H,1-6H2


name: Hexadecyl octadec-9-enyl hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 93839-10-2
formula: C34H69O4P.C6H15NO3
inchikey: KKMJPVRBIHKHNP-UHFFFAOYSA-N
norman_susdat_id: NS00091888
smiles: OCCN(CCO)CCO.O=P(O)(OCCCCCCCCCCCCCCCC)OCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C34H69O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-38-39(35,36)37-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h17,19H,3-16,18,20-34H2,1-2H3,(H,35,36);8-10H,1-6H2


name: Octadec-9-enyl dihydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:2)
cas: 93839-11-3
formula: C18H37O4P.2C6H15NO3
inchikey: ZXVJTVXRGHSNBK-UHFFFAOYSA-N
norman_susdat_id: NS00091740
smiles: OCCN(CCO)CCO.OCCN(CCO)CCO.OP(=O)(O)OCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C18H37O4P.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;2*8-4-1-7(2-5-9)3-6-10/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21);2*8-10H,1-6H2


name: N,N-bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide
cas: 93839-12-4
dtxsid: DTXSID80917667
formula: C15H22NO4
inchikey: GAFVDKIUMGDWJV-UHFFFAOYSA-M
norman_susdat_id: NS00063623
pubchem_cid: 5744149
smiles: [Br-].O=C(OC)CC[N+](C=1C=CC=CC1)(C)CCC(=O)OC
inchi:
InChI=1/C15H22NO4.BrH/c1-16(11-9-14(17)19-2,12-10-15(18)20-3)13-7-5-4-6-8-13;/h4-8H,9-12H2,1-3H3;1H/q+1;/p-1


name: N-(4-(Aminocarbonyl)phenyl)-4-methoxy-3-nitrobenzamide
cas: 93839-20-4
chemspiderid: 763623
dtxsid: DTXSID70239729
formula: C15H13N3O5
inchikey: JXHSJUAPWJKPLE-UHFFFAOYSA-N
norman_susdat_id: NS00007139
pubchem_cid: 874576
smiles: COc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(cc1)C(N)=O
inchi:
InChI=1S/C15H13N3O5/c1-23-13-7-4-10(8-12(13)18(21)22)15(20)17-11-5-2-9(3-6-11)14(16)19/h2-8H,1H3,(H2,16,19)(H,17,20)


name: N-(4-(Aminocarbonyl)phenyl)-4-nitrobenzamide
cas: 93839-21-5
chemspiderid: 600532
dtxsid: DTXSID80239730
formula: C14H11N3O4
inchikey: FANLHXKNWWSLIG-UHFFFAOYSA-N
norman_susdat_id: NS00008013
pubchem_cid: 689161
smiles: NC(=O)c1ccc(NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
inchi:
InChI=1S/C14H11N3O4/c15-13(18)9-1-5-11(6-2-9)16-14(19)10-3-7-12(8-4-10)17(20)21/h1-8H,(H2,15,18)(H,16,19)


name: 4,5-dihydro-3-methyl-2-[3-(3-methylthiazolidin-2-ylidene)prop-1-enyl]thiazolium methyl sulphate
cas: 93839-22-6
formula: C11H17N2S2.CH3O4S
inchikey: GWUOMGWFFISCCU-UHFFFAOYSA-M
norman_susdat_id: NS00091889
smiles: CN2CCSC2=CC=CC=1SCC[N+]=1C.[O-]S(=O)(=O)OC
inchi:
InChI=1/C11H17N2S2.CH4O4S/c1-12-6-8-14-10(12)4-3-5-11-13(2)7-9-15-11;1-5-6(2,3)4/h3-5H,6-9H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


name: Butoxytriphenoxystannane
cas: 93839-24-8
dtxsid: DTXSID40239731
formula: C22H24O4Sn
inchikey: PFLIHZUILXBRRV-UHFFFAOYSA-K
norman_susdat_id: NS00063376
pubchem_cid: NA
smiles: O(C=1C=CC=CC1)[Sn](OC=2C=CC=CC2)(OC=3C=CC=CC3)OCCCC
inchi:
InChI=1/3C6H6O.C4H9O.Sn/c3*7-6-4-2-1-3-5-6;1-2-3-4-5;/h3*1-5,7H;2-4H2,1H3;/q;;;-1;+4/p-3/rC22H24O4Sn/c1-2-3-19-23-27(24-20-13-7-4-8-14-20,25-21-15-9-5-10-16-21)26-22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3


name: Octadecyl tetradecyl hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 93839-26-0
dtxsid: DTXSID20917661
formula: C32H67O4P
inchikey: GQPSNFWNKRTZOQ-UHFFFAOYSA-N
norman_susdat_id: NS00064800
pubchem_cid: 44151764
smiles: O=P(O)(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC.OCCN(CCO)CCO
inchi:
InChI=1/C32H67O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36-37(33,34)35-31-29-27-25-23-21-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h3-32H2,1-2H3,(H,33,34);8-10H,1-6H2


name: Benzyl(2-ethylhexyl)dimethylammonium chloride
cas: 93839-30-6
dtxsid: DTXSID90917658
formula: C17H30N
inchikey: CHQDFPKUWSDOEC-UHFFFAOYSA-M
norman_susdat_id: NS00063377
pubchem_cid: 3022532
smiles: [Cl-].C=1C=CC(=CC1)C[N+](C)(C)CC(CC)CCCC
inchi:
InChI=1/C17H30N.ClH/c1-5-7-11-16(6-2)14-18(3,4)15-17-12-9-8-10-13-17;/h8-10,12-13,16H,5-7,11,14-15H2,1-4H3;1H/q+1;/p-1


name: N-(2-((2-Aminoethyl)dodecylamino)ethyl)glycine
cas: 93839-33-9
chemspiderid: 2289010
dtxsid: DTXSID60239733
formula: C18H39N3O2
inchikey: YIRFYEDJJRGBKY-UHFFFAOYSA-N
norman_susdat_id: NS00039659
pubchem_cid: 21149729
smiles: CCCCCCCCCCCCN(CCN)CCNCC(=O)O
inchi:
InChI=1S/C18H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-21(15-12-19)16-13-20-17-18(22)23/h20H,2-17,19H2,1H3,(H,22,23)


name: N-(2-((2-Aminoethyl)amino)ethyl)-N-dodecylglycine
cas: 93839-34-0
chemspiderid: 2289011
dtxsid: DTXSID20239734
formula: C18H39N3O2
inchikey: XBBCNNLBNDCZKG-UHFFFAOYSA-N
norman_susdat_id: NS00039660
pubchem_cid: 3022537
smiles: CCCCCCCCCCCCN(CCNCCN)CC(=O)O
inchi:
InChI=1S/C18H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-15-21(17-18(22)23)16-14-20-13-12-19/h20H,2-17,19H2,1H3,(H,22,23)


name: N-(2-aminoethyl)-N,N'-dioctylethylenediamine acetate
cas: 93839-38-4
formula: C20H45N3.xC2H4O2
inchikey: BOOBJJPWEQETHY-UHFFFAOYSA-N
norman_susdat_id: NS00091890
smiles: CCCCCCCCNCCN(CCN)CCCCCCCC.CC(=O)O
inchi:
InChI=1/C20H45N3.C2H4O2/c1-3-5-7-9-11-13-16-22-17-20-23(19-15-21)18-14-12-10-8-6-4-2;1-2(3)4/h22H,3-21H2,1-2H3;1H3,(H,3,4)


name: N'-(2-aminoethyl)-N,N-dioctylethylenediamine acetate
cas: 93839-39-5
formula: C20H45N3.xC2H4O2
inchikey: FERXTBXIPLQHDD-UHFFFAOYSA-N
norman_susdat_id: NS00092366
smiles: CCCCCCCCN(CCCCCCCC)CCNCCN.CC(=O)O
inchi:
InChI=1/C20H45N3.C2H4O2/c1-3-5-7-9-11-13-18-23(20-17-22-16-15-21)19-14-12-10-8-6-4-2;1-2(3)4/h22H,3-21H2,1-2H3;1H3,(H,3,4)


name: N-octyl-N'-[2-(octylamino)ethyl]ethylenediamine, compound with acetic acid
cas: 93839-40-8
formula: C20H45N3.xC2H4O2
inchikey: AIYPHXGJRIVRMP-UHFFFAOYSA-N
norman_susdat_id: NS00091742
smiles: CCCCCCCCNCCNCCNCCCCCCCC.CC(=O)O
inchi:
InChI=1/C20H45N3.C2H4O2/c1-3-5-7-9-11-13-15-21-17-19-23-20-18-22-16-14-12-10-8-6-4-2;1-2(3)4/h21-23H,3-20H2,1-2H3;1H3,(H,3,4)


name: N,N-dioctyl-N'-[2-(octylamino)ethyl]ethylenediamine acetate
cas: 93839-41-9
formula: C28H61N3.xC2H4O2
inchikey: BQOMAQHGHIBOFA-UHFFFAOYSA-N
norman_susdat_id: NS00092367
smiles: CCCCCCCCNCCNCCN(CCCCCCCC)CCCCCCCC.CC(=O)O
inchi:
InChI=1/C28H61N3.C2H4O2/c1-4-7-10-13-16-19-22-29-23-24-30-25-28-31(26-20-17-14-11-8-5-2)27-21-18-15-12-9-6-3;1-2(3)4/h29-30H,4-28H2,1-3H3;1H3,(H,3,4)


name: N,N'-dioctyl-N-[2-(octylamino)ethyl]ethylenediamine acetate
cas: 93839-42-0
formula: C28H61N3.xC2H4O2
inchikey: RFFDHTBUJRKXJK-UHFFFAOYSA-N
norman_susdat_id: NS00092368
smiles: CCCCCCCCNCCN(CCCCCCCC)CCNCCCCCCCC.CC(=O)O
inchi:
InChI=1/C28H61N3.C2H4O2/c1-4-7-10-13-16-19-22-29-24-27-31(26-21-18-15-12-9-6-3)28-25-30-23-20-17-14-11-8-5-2;1-2(3)4/h29-30H,4-28H2,1-3H3;1H3,(H,3,4)


name: N-(2-aminoethyl)-N,N',N'-trioctylethylenediamine
cas: 93839-43-1
dtxsid: DTXSID50917654
formula: C28H61N3
inchikey: QWHFTNGGASLTIP-UHFFFAOYSA-N
norman_susdat_id: NS00064814
pubchem_cid: 3022545
smiles: NCCN(CCN(CCCCCCCC)CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C28H61N3/c1-4-7-10-13-16-19-23-30(24-20-17-14-11-8-5-2)27-28-31(26-22-29)25-21-18-15-12-9-6-3/h4-29H2,1-3H3


name: N'-(2-(Dioctylamino)ethyl)-N,N-dioctylethylenediamine
cas: 93839-44-2
chemspiderid: 2289015
dtxsid: DTXSID90239741
formula: C36H77N3
inchikey: QUXHOWGAZCYEGZ-UHFFFAOYSA-N
norman_susdat_id: NS00039663
pubchem_cid: 3022546
smiles: CCCCCCCCN(CCCCCCCC)CCNCCN(CCCCCCCC)CCCCCCCC
inchi:
InChI=1S/C36H77N3/c1-5-9-13-17-21-25-31-38(32-26-22-18-14-10-6-2)35-29-37-30-36-39(33-27-23-19-15-11-7-3)34-28-24-20-16-12-8-4/h37H,5-36H2,1-4H3


name: 4-((2-Aminobenzyl)amino)cyclohexan-1-ol
cas: 93839-70-4
chemspiderid: 2289018
dtxsid: DTXSID10239743
formula: C13H20N2O1
inchikey: UERRZQCPQRIPHN-UHFFFAOYSA-N
norman_susdat_id: NS00039664
pubchem_cid: 3022549
smiles: Nc1c(CNC2CCC(O)CC2)cccc1
inchi:
InChI=1S/C13H20N2O/c14-13-4-2-1-3-10(13)9-15-11-5-7-12(16)8-6-11/h1-4,11-12,15-16H,5-9,14H2/t11-,12-


name: 4-(((2-Aminophenyl)methyl)amino)cyclohexyl acetate
cas: 93839-71-5
chemspiderid: 2289019
dtxsid: DTXSID70239744
formula: C15H22N2O2
inchikey: VPLIJSLZFWAYSJ-UHFFFAOYSA-N
norman_susdat_id: NS00008566
pubchem_cid: 3022550
smiles: CC(=O)OC1CCC(CC1)NCc1ccccc1N
inchi:
InChI=1S/C15H22N2O2/c1-11(18)19-14-8-6-13(7-9-14)17-10-12-4-2-3-5-15(12)16/h2-5,13-14,17H,6-10,16H2,1H3


name: Disodium 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenolate S,S-dioxide
cas: 93839-72-6
formula: C19H14O5S.2Na
inchikey: MOHAVYLIGBAZHR-UHFFFAOYSA-L
norman_susdat_id: NS00091907
smiles: [Na+].[Na+].[O-]c1ccc(cc1)C2(OS(=O)(=O)c3ccccc23)c4ccc([O-])cc4
inchi:
InChI=1/C19H14O5S.2Na/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19;;/h1-12,20-21H;;/q;2*+1/p-2


name: N2,N2-dimethyl-N6-(1-oxotetradecyl)-L-lysine
cas: 93839-74-8
dtxsid: DTXSID50917634
formula: C22H44N2O3
inchikey: BXEWSXCWIYPNGS-FQEVSTJZSA-N
norman_susdat_id: NS00064815
pubchem_cid: 44150884
smiles: O=C(NCCCCC(C(=O)O)N(C)C)CCCCCCCCCCCCC
inchi:
InChI=1/C22H44N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-18-21(25)23-19-16-15-17-20(22(26)27)24(2)3/h20H,4-19H2,1-3H3,(H,23,25)(H,26,27)


name: Sodium 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate
cas: 93839-75-9
formula: C20H32O2.Na
inchikey: YXPFDRALIICCQC-UHFFFAOYSA-M
norman_susdat_id: NS00092369
smiles: [Na+].CC(C)C1CCC2=C(CCC3C(C)(CCCC23C)C(=O)[O-])C1
inchi:
InChI=1/C20H32O2.Na/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h13-14,17H,5-12H2,1-4H3,(H,21,22);/q;+1/p-1


cas: 93839-76-0
dtxsid: DTXSID30917632
formula: C20H32O2
inchikey: VJYBVOKBJCKWGG-UHFFFAOYSA-M
norman_susdat_id: NS00063974
pubchem_cid: 56843624
smiles: [K+].O=C([O-])C1(C)CCCC2(C3=C(CCC12)CC(CC3)C(C)C)C
name:
Potassium 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate

inchi:
InChI=1/C20H32O2.K/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h13-14,17H,5-12H2,1-4H3,(H,21,22);/q;+1/p-1


name: Sodium tetradecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate
cas: 93839-77-1
formula: C20H34O2.Na
inchikey: LGMVLKTYFVXBLU-UHFFFAOYSA-M
norman_susdat_id: NS00091748
smiles: [Na+].CC(C)C1CCC2C(CCC3C2(C)CCCC3(C)C(=O)[O-])C1
inchi:
InChI=1/C20H34O2.Na/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h13-17H,5-12H2,1-4H3,(H,21,22);/q;+1/p-1


name: Potassium tetradecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate
cas: 93839-78-2
formula: C20H34O2.K
inchikey: CPXFNUYPUJIEOY-UHFFFAOYSA-M
norman_susdat_id: NS00092370
smiles: [K+].CC(C)C1CCC2C(CCC3C2(C)CCCC3(C)C(=O)[O-])C1
inchi:
InChI=1/C20H34O2.K/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h13-17H,5-12H2,1-4H3,(H,21,22);/q;+1/p-1


name: N-[[1-(allyl)-2-pyrrolidinyl]methyl]-4-amino-2-methoxy-5-nitrobenzamide
cas: 93839-81-7
dtxsid: DTXSID80917627
formula: C16H23N4O4
inchikey: CHGUNJWKILZSRU-UHFFFAOYSA-N
norman_susdat_id: NS00063975
pubchem_cid: 3022551
smiles: O=C(NCC1N(CC=C)CCC1)C=2C=C(C(N)=CC2OC)[N+](=O)[O-]
inchi:
InChI=1/C16H22N4O4/c1-3-6-19-7-4-5-11(19)10-18-16(21)12-8-14(20(22)23)13(17)9-15(12)24-2/h3,8-9,11H,1,4-7,10,17H2,2H3,(H,18,21)


name: 4-Amino-5-(ethanesulfonyl)-2-methoxy-N-[(pyrrolidin-2-yl)methyl]benzene-1-carboximidic acid
cas: 93839-82-8
chemspiderid: 2289021
dtxsid: DTXSID20917626
formula: C15H23N3O4S1
inchikey: BEDJAYJKACGEHH-UHFFFAOYSA-N
norman_susdat_id: NS00000722
pubchem_cid: 3022552
smiles: S(=O)(c1c(N)cc(OC)c(C(NCC2NCCC2)=O)c1)(CC)=O
inchi:
InChI=1S/C15H23N3O4S/c1-3-23(20,21)14-7-11(13(22-2)8-12(14)16)15(19)18-9-10-5-4-6-17-10/h7-8,10,17H,3-6,9,16H2,1-2H3,(H,18,19)


name: 4-amino-N-[(1-benzyl-2-pyrrolidinyl)methyl]-5-(ethylsulphonyl)-2-methoxybenzamide
cas: 93839-84-0
dtxsid: DTXSID00917624
formula: C22H29N3O4S
inchikey: MCHCXHUXQSAMCF-UHFFFAOYSA-N
norman_susdat_id: NS00063652
pubchem_cid: 3022554
smiles: O=C(NCC1N(CC=2C=CC=CC2)CCC1)C=3C=C(C(N)=CC3OC)S(=O)(=O)CC
inchi:
InChI=1/C22H29N3O4S/c1-3-30(27,28)21-12-18(20(29-2)13-19(21)23)22(26)24-14-17-10-7-11-25(17)15-16-8-5-4-6-9-16/h4-6,8-9,12-13,17H,3,7,10-11,14-15,23H2,1-2H3,(H,24,26)


name: D-(+)-threo-2-amino-1-(p-methylsulphonylphenyl)propane-1,3-diyl sulphate
cas: 93839-91-9
dtxsid: DTXSID20917621
formula: C10H15NO10S3
inchikey: FKBAHZXTICAQMF-UHFFFAOYSA-M
norman_susdat_id: NS00064019
pubchem_cid: NA
smiles: O=S(=O)([O-])OC(C1=CC=C(C=C1)S(=O)(=O)C)C(N)COS(=O)(=O)O
inchi:
InChI=1/C10H15NO10S3/c1-22(12,13)8-4-2-7(3-5-8)10(21-24(17,18)19)9(11)6-20-23(14,15)16/h2-5,9-10H,6,11H2,1H3,(H,14,15,16)(H,17,18,19)/p-1


name: Iron 3-nitronaphthalene-1,5-disulphonate
cas: 93839-97-5
formula: C10H7NO8S2.xFe
inchikey: HKMHVNJPHJFIJA-UHFFFAOYSA-L
norman_susdat_id: NS00091756
smiles: [Fe+2].[O-][N+](=O)c1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H7NO8S2.Fe/c12-11(13)6-4-8-7(10(5-6)21(17,18)19)2-1-3-9(8)20(14,15)16;/h1-5H,(H,14,15,16)(H,17,18,19);/q;+2/p-2


name: Lead 3-(acetamido)phthalate
cas: 93839-98-6
formula: C10H8O6.Pb
inchikey: TYWBGOXMRBNEPS-UHFFFAOYSA-L
norman_susdat_id: NS00091670
smiles: [Pb+2].O=C(C)N\C\1=C\C=C/C(=C/1/C([O-])=O)C([O-])=O
inchi:
InChI=1/C10H9NO5.Pb.2H/c1-5(12)11-7-4-2-3-6(9(13)14)8(7)10(15)16;;;/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16);;;/q;+4;;/p-2/rC10H9NO5.H2Pb/c1-5(12)11-7-4-2-3-6(9(13)14)8(7)10(15)16;/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16);1H2/q;+4/p-2


name: Tungsten hexakis(2-ethylhexanolate)
cas: 93840-02-9
formula: C8H18O.1/6W
inchi: InChI=1/6C8H17O.3W/c6*1-3-5-6-8(4-2)7-9;;;/h6*8H,3-7H2,1-2H3;;;/q6*-1;3*+2
inchikey: PDCGVNPZBRILCY-UHFFFAOYSA-N
norman_susdat_id: NS00091672
smiles:
[W+2].[W+2].[W+2].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-]


name: Lead bis(2-ethylhexanolate)
cas: 93840-04-1
formula: C8H18O.1/2Pb
inchikey: IUNOSRQOHMZWDS-UHFFFAOYSA-N
norman_susdat_id: NS00091674
smiles: [Pb+2].CCC(CCCC)C[O-].CCC(CCCC)C[O-]
inchi:
InChI=1/2C8H17O.Pb.2H/c2*1-3-5-6-8(4-2)7-9;;;/h2*8H,3-7H2,1-2H3;;;/q2*-1;+4;;/r2C8H17O.H2Pb/c2*1-3-5-6-8(4-2)7-9;/h2*8H,3-7H2,1-2H3;1H2/q2*-1;+4


name: Antimony tri(hexanolate)
cas: 93840-05-2
formula: C6H14O.1/3Sb
inchikey: OSHMFUIMESEQSS-UHFFFAOYSA-N
norman_susdat_id: NS00091935
smiles: [SbH3+3].CCCCCC[O-].CCCCCC[O-].CCCCCC[O-]
inchi:
InChI=1/3C6H13O.Sb.3H/c3*1-2-3-4-5-6-7;;;;/h3*2-6H2,1H3;;;;/q3*-1;+3;;;/r3C6H13O.H3Sb/c3*1-2-3-4-5-6-7;/h3*2-6H2,1H3;1H3/q3*-1;+3


name: Antimony tris(2-ethylhexanolate)
cas: 93840-06-3
formula: C8H18O.1/3Sb
inchikey: AJYLUVBKVDOGMY-UHFFFAOYSA-N
norman_susdat_id: NS00091675
smiles: [SbH3+3].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-]
inchi:
InChI=1/3C8H17O.Sb.3H/c3*1-3-5-6-8(4-2)7-9;;;;/h3*8H,3-7H2,1-2H3;;;;/q3*-1;+3;;;/r3C8H17O.H3Sb/c3*1-3-5-6-8(4-2)7-9;/h3*8H,3-7H2,1-2H3;1H3/q3*-1;+3


name: Dibutoxyfluorostibine
cas: 93840-07-4
formula: C8H18FO2Sb
inchikey: XERVMGXKGKFAFR-UHFFFAOYSA-M
norman_susdat_id: NS00091676
smiles: CCCCO[Sb](F)OCCCC
inchi:
InChI=1/2C4H9O.FH.Sb/c2*1-2-3-4-5;;/h2*2-4H2,1H3;1H;/q2*-1;;+3/p-1/rC8H18FO2Sb/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3


name: Zirconium(4+) (Z)-octadecen-1-olate
cas: 93840-08-5
formula: C18H36O.1/4Zr
inchikey: JKTWFBBYJFYEAF-PNFPHFRRSA-J
norman_susdat_id: NS00092405
inchi:
InChI=1/4C18H36O.Zr/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h4*17-19H,2-16H2,1H3;/q;;;;+4/p-4

smiles:
[Zr+4].CCCCCCCCCCCCCCCC\C=C/[O-].CCCCCCCCCCCCCCCC\C=C/[O-].CCCCCCCCCCCCCCCC\C=C/[O-].CCCCCCCCCCCCCCCC\C=C/[O-]


name: Phenol, 2,2'-methylenebis(6-tert-butyl-4-isopropyl-
cas: 93840-39-2
chemspiderid: 171960
dtxsid: DTXSID50239747
formula: C27H40O2
inchikey: RVVVMCHNTQXDPI-UHFFFAOYSA-N
norman_susdat_id: NS00039666
pubchem_cid: 198671
smiles: CC(C)c1cc(Cc2c(O)c(cc(c2)C(C)C)C(C)(C)C)c(O)c(c1)C(C)(C)C
inchi:
InChI=1S/C27H40O2/c1-16(2)18-11-20(24(28)22(14-18)26(5,6)7)13-21-12-19(17(3)4)15-23(25(21)29)27(8,9)10/h11-12,14-17,28-29H,13H2,1-10H3


name: 2,6-Dicyclohexyl-m-cresol
cas: 93840-40-5
chemspiderid: 2289034
dtxsid: DTXSID10239748
formula: C19H28O1
inchikey: MNMFNWIRHMYXIX-UHFFFAOYSA-N
norman_susdat_id: NS00039667
pubchem_cid: 3022567
smiles: Cc1ccc(C2CCCCC2)c(O)c1C1CCCCC1
inchi:
InChI=1S/C19H28O/c1-14-12-13-17(15-8-4-2-5-9-15)19(20)18(14)16-10-6-3-7-11-16/h12-13,15-16,20H,2-11H2,1H3


name: 2,2'-thiobis[4-tert-butyl-6-cyclohexylphenol]
cas: 93840-41-6
dtxsid: DTXSID20917601
formula: C32H46O2S
inchikey: QNSYHXDDRBXVHK-UHFFFAOYSA-N
norman_susdat_id: NS00064860
pubchem_cid: 44148715
smiles: OC1=C(SC=2C=C(C=C(C2O)C3CCCCC3)C(C)(C)C)C=C(C=C1C4CCCCC4)C(C)(C)C
inchi:
InChI=1/C32H46O2S/c1-31(2,3)23-17-25(21-13-9-7-10-14-21)29(33)27(19-23)35-28-20-24(32(4,5)6)18-26(30(28)34)22-15-11-8-12-16-22/h17-22,33-34H,7-16H2,1-6H3


name: 2,2'-methylenebis[4-tert-butyl-6-cyclopentylphenol]
cas: 93840-42-7
dtxsid: DTXSID60917600
formula: C31H44O2
inchikey: YEUQGFPNRFVXOE-UHFFFAOYSA-N
norman_susdat_id: NS00064861
pubchem_cid: 23471214
smiles: OC=1C(=CC(=CC1C2CCCC2)C(C)(C)C)CC3=CC(=CC(=C3O)C4CCCC4)C(C)(C)C
inchi:
InChI=1/C31H44O2/c1-30(2,3)24-16-22(28(32)26(18-24)20-11-7-8-12-20)15-23-17-25(31(4,5)6)19-27(29(23)33)21-13-9-10-14-21/h16-21,32-33H,7-15H2,1-6H3


name: 2,6-Dicyclohexyl-5-isopropyl-m-cresol
cas: 93840-43-8
chemspiderid: 2289035
dtxsid: DTXSID70239749
formula: C22H34O1
inchikey: LAGFOZUICLZQFM-UHFFFAOYSA-N
norman_susdat_id: NS00039668
pubchem_cid: 3022568
smiles: CC(C)c1c(C2CCCCC2)c(O)c(C2CCCCC2)c(C)c1
inchi:
InChI=1S/C22H34O/c1-15(2)19-14-16(3)20(17-10-6-4-7-11-17)22(23)21(19)18-12-8-5-9-13-18/h14-15,17-18,23H,4-13H2,1-3H3


name: 6-tert-Butyl-2-cyclopentyl-4-(methoxymethyl)phenol
cas: 93840-45-0
chemspiderid: 2289036
dtxsid: DTXSID80239750
formula: C17H26O2
inchikey: QFKRWIHLPCNTDS-UHFFFAOYSA-N
norman_susdat_id: NS00039669
pubchem_cid: 3022569
smiles: COCc1cc(C2CCCC2)c(O)c(c1)C(C)(C)C
inchi:
InChI=1S/C17H26O2/c1-17(2,3)15-10-12(11-19-4)9-14(16(15)18)13-7-5-6-8-13/h9-10,13,18H,5-8,11H2,1-4H3


cas: 93840-48-3
formula: C34H24N6O11S2.xC12H27NO6.xNa
inchikey: POTLESLMCYCGCD-UHFFFAOYSA-M
norman_susdat_id: NS00091563
name:
Benzoic acid, 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-, sodium salt, compd. with 2,2',2''-[nitrilotris(2,1-ethanediyloxy)]tris[ethanol]

inchi:
InChI=1/C34H24N6O11S2.C12H27NO6.Na/c41-31-25-12-10-23(14-19(25)16-27(52(46,47)48)29(31)39-37-21-4-2-1-3-5-21)35-34(45)36-24-11-13-26-20(15-24)17-28(53(49,50)51)30(32(26)42)40-38-22-8-6-18(7-9-22)33(43)44;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);14-16H,1-12H2;/q;;+1/p-1

smiles:
[Na+].OCCOCCN(CCOCCO)CCOCCO.OS(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5)C([O-])=O)c6O)S(O)(=O)=O


name: N-(3-aminopropyl)-N-hexadecyl-D-gluconamide
cas: 93840-50-7
formula: C25H52N2O6
inchikey: DQRMTKNPGLJJBZ-JLLPCOHGSA-N
norman_susdat_id: NS00063523
pubchem_cid: 44150215
smiles: O=C(N(CCCN)CCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C25H52N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27(19-16-17-26)25(33)24(32)23(31)22(30)21(29)20-28/h21-24,28-32H,2-20,26H2,1H3


name: N-(3-aminopropyl)-N-octadecyl-D-gluconamide
cas: 93840-51-8
formula: C27H56N2O6
inchikey: ZZUMLEXOVKUJEV-FXSWLTOZSA-N
norman_susdat_id: NS00063235
pubchem_cid: 44150973
smiles: O=C(N(CCCN)CCCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C27H56N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29(21-18-19-28)27(35)26(34)25(33)24(32)23(31)22-30/h23-26,30-34H,2-22,28H2,1H3


name: N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-D-gluconamide
cas: 93840-52-9
formula: C19H36N2O6
inchikey: SAPNMYZHUSMHPK-XQMASPPQSA-N
norman_susdat_id: NS00063841
pubchem_cid: 44151143
smiles: O=C(NC1CCC(CC1)CC2CCC(N)CC2)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C19H36N2O6/c20-13-5-1-11(2-6-13)9-12-3-7-14(8-4-12)21-19(27)18(26)17(25)16(24)15(23)10-22/h11-18,22-26H,1-10,20H2,(H,21,27)


name: N,N'-(methylenedicyclohexane-4,1-diyl)bis-D-gluconamide
cas: 93840-53-0
formula: C25H46N2O12
inchikey: CDPWNJYMTFLJHI-RCRCVYLOSA-N
norman_susdat_id: NS00063842
pubchem_cid: 44149140
smiles: O=C(NC1CCC(CC1)CC2CCC(NC(=O)C(O)C(O)C(O)C(O)CO)CC2)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C25H46N2O12/c28-10-16(30)18(32)20(34)22(36)24(38)26-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)27-25(39)23(37)21(35)19(33)17(31)11-29/h12-23,28-37H,1-11H2,(H,26,38)(H,27,39)


name: N-(3-aminopropyl)-N-octyl-D-gluconamide
cas: 93840-54-1
formula: C17H36N2O6
inchikey: ZTFDHJKBHRSPIG-LVQVYYBASA-N
norman_susdat_id: NS00063236
pubchem_cid: 44148087
smiles: O=C(N(CCCN)CCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C17H36N2O6/c1-2-3-4-5-6-7-10-19(11-8-9-18)17(25)16(24)15(23)14(22)13(21)12-20/h13-16,20-24H,2-12,18H2,1H3


name: N-(3-aminopropyl)-N-decyl-D-gluconamide
cas: 93840-55-2
formula: C19H40N2O6
inchikey: QXICZCCFBIIBQH-ZJPYXAASSA-N
norman_susdat_id: NS00064728
pubchem_cid: 44150474
smiles: O=C(N(CCCN)CCCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C19H40N2O6/c1-2-3-4-5-6-7-8-9-12-21(13-10-11-20)19(27)18(26)17(25)16(24)15(23)14-22/h15-18,22-26H,2-14,20H2,1H3


name: N-(3-aminopropyl)-N-dodecyl-D-gluconamide
cas: 93840-56-3
formula: C21H44N2O6
inchikey: CCAKFFMYVWVAAF-YSTOQKLRSA-N
norman_susdat_id: NS00063843
pubchem_cid: 44147771
smiles: O=C(N(CCCN)CCCCCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C21H44N2O6/c1-2-3-4-5-6-7-8-9-10-11-14-23(15-12-13-22)21(29)20(28)19(27)18(26)17(25)16-24/h17-20,24-28H,2-16,22H2,1H3


name: [(2,4-dichlorophenoxy)methyl]dimethyloctylammonium chloride
cas: 93840-58-5
dtxsid: DTXSID90917597
formula: C17H28Cl2NO
inchikey: LKVRKEFXIWVRRJ-UHFFFAOYSA-M
norman_susdat_id: NS00063237
pubchem_cid: 21149730
smiles: [Cl-].ClC1=CC=C(OC[N+](C)(C)CCCCCCCC)C(Cl)=C1
inchi:
InChI=1/C17H28Cl2NO.ClH/c1-4-5-6-7-8-9-12-20(2,3)14-21-17-11-10-15(18)13-16(17)19;/h10-11,13H,4-9,12,14H2,1-3H3;1H/q+1;/p-1


name: Bis[[(2,4-dichlorophenoxy)methyl]dimethyloctylammonium] 4,4'-diaminostilbene-2,2'-disulphonate
cas: 93840-59-6
formula: C17H28Cl2NO.1/2C14H12N2O6S2
inchikey: MDEZLGZRBQJCEK-WXXKFALUSA-L
norman_susdat_id: NS00091564
inchi:
InChI=1/2C17H28Cl2NO.C14H14N2O6S2/c2*1-4-5-6-7-8-9-12-20(2,3)14-21-17-11-10-15(18)13-16(17)19;15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h2*10-11,13H,4-9,12,14H2,1-3H3;1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/q2*+1;/p-2

smiles:
CCCCCCCC[N+](C)(C)COc1ccc(Cl)cc1Cl.CCCCCCCC[N+](C)(C)COc2ccc(Cl)cc2Cl.Nc3ccc(\C=C\c4ccc(N)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-]


name: 4,4'-trimethylenebis(oxy)bis[3-bromobenzonitrile]
cas: 93840-60-9
dtxsid: DTXSID30917596
formula: C17H12Br2N2O2
inchikey: LAHOXIOBTZVRCT-UHFFFAOYSA-N
norman_susdat_id: NS00063844
pubchem_cid: 13761045
smiles: N#CC1=CC=C(OCCCOC2=CC=C(C#N)C=C2Br)C(Br)=C1
inchi:
InChI=1/C17H12Br2N2O2/c18-14-8-12(10-20)2-4-16(14)22-6-1-7-23-17-5-3-13(11-21)9-15(17)19/h2-5,8-9H,1,6-7H2


name: Disodium 2,5-dihydroxybenzene-1,3-disulphonate
cas: 93840-62-1
formula: C6H6O8S2.2Na
inchikey: XYYHOGSZZTXVFK-UHFFFAOYSA-L
norman_susdat_id: NS00091845
smiles: [Na+].[Na+].Oc1cc(c(O)c(c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C6H6O8S2.2Na/c7-3-1-4(15(9,10)11)6(8)5(2-3)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2


name: 10-[2-(dimethylamino)propyl]-N,N-dimethyl-10H-phenothiazine-2-sulphonamide maleate
cas: 93840-63-2
formula: C19H25N3O2S2.C4H4O4
inchikey: GXCDQNVHCJQZDY-BTJKTKAUSA-N
norman_susdat_id: NS00091846
smiles: CC(CN1c2ccccc2Sc3ccc(cc13)S(=O)(=O)N(C)C)N(C)C.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C19H25N3O2S2.C4H4O4/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5;5-3(6)1-2-4(7)8/h6-12,14H,13H2,1-5H3;1-2H,(H,5,6)(H,7,8)


name: 5-ethyl-3,8-dinitro-6-phenylphenanthridinium ethyl sulphate
cas: 93840-65-4
dtxsid: DTXSID10917594
formula: C21H18N3O4
inchikey: KVSATGGMSSOVOB-UHFFFAOYSA-M
norman_susdat_id: NS00063238
pubchem_cid: 44150082
smiles: O=[N+]([O-])C=1C=CC=2C=3C=CC(=CC3[N+](=C(C=4C=CC=CC4)C2C1)CC)[N+](=O)[O-].O=S(=O)([O-])OCC
inchi:
InChI=1/C21H16N3O4.C2H6O4S/c1-2-22-20-13-16(24(27)28)9-11-18(20)17-10-8-15(23(25)26)12-19(17)21(22)14-6-4-3-5-7-14;1-2-6-7(3,4)5/h3-13H,2H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate
cas: 93840-66-5
chemspiderid: 2289040
dtxsid: DTXSID00239752
formula: C19H29Cl1O3
inchikey: LOZWYDXWEXXLRO-UHFFFAOYSA-N
norman_susdat_id: NS00039670
pubchem_cid: 3022573
smiles: CC(C)CCCCCOC(=O)CCCOC1=C(C)C(Cl)=CC=C1
inchi:
InChI=1S/C19H29ClO3/c1-15(2)9-5-4-6-13-23-19(21)12-8-14-22-18-11-7-10-17(20)16(18)3/h7,10-11,15H,4-6,8-9,12-14H2,1-3H3


name: 2-hydroxyhexacosyl 12-hydroxyoctadecanoate
cas: 93840-69-8
dtxsid: DTXSID50917593
formula: C44H88O4
inchikey: VIALDFXTEOLLGO-UHFFFAOYSA-N
norman_susdat_id: NS00064730
pubchem_cid: 3022576
smiles: O=C(OCC(O)CCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCC(O)CCCCCC
inchi:
InChI=1/C44H88O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-35-39-43(46)41-48-44(47)40-36-32-29-26-25-27-30-34-38-42(45)37-33-8-6-4-2/h42-43,45-46H,3-41H2,1-2H3


name: 2-hydroxytriacontyl 12-hydroxyoctadecanoate
cas: 93840-70-1
dtxsid: DTXSID90917592
formula: C48H96O4
inchikey: YOCODWKDRYTJHK-UHFFFAOYSA-N
norman_susdat_id: NS00063524
pubchem_cid: 3022577
smiles: O=C(OCC(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCC(O)CCCCCC
inchi:
InChI=1/C48H96O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-35-39-43-47(50)45-52-48(51)44-40-36-33-30-29-31-34-38-42-46(49)41-37-8-6-4-2/h46-47,49-50H,3-45H2,1-2H3


name: HYDROXYOCTACOSANYL HYDROXYSTEARATE
cas: 93840-71-2
chemspiderid: 2289043
formula: C46H92O4
inchikey: GDHWAMVEOAWHIM-UHFFFAOYSA-N
norman_susdat_id: NS00013762
pubchem_cid: 3022578
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)COC(=O)CCCCCCCCCCC(O)CCCCCC
inchi:
InChI=1S/C46H92O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-33-37-41-45(48)43-50-46(49)42-38-34-31-28-27-29-32-36-40-44(47)39-35-8-6-4-2/h44-45,47-48H,3-43H2,1-2H3


name: Barium bis[3-(2-hydroxyoctyl)oxiran-2-octanoate]
cas: 93840-72-3
formula: C18H34O4.1/2Ba
inchikey: UUPSFWYXWWOILT-UHFFFAOYSA-L
norman_susdat_id: NS00091578
smiles: [Ba+2].CCCCCCC(O)CC1OC1CCCCCCCC(=O)[O-].CCCCCCC(O)CC2OC2CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H34O4.Ba/c2*1-2-3-4-8-11-15(19)14-17-16(22-17)12-9-6-5-7-10-13-18(20)21;/h2*15-17,19H,2-14H2,1H3,(H,20,21);/q;;+2/p-2


name: N-(3-aminopropyl)-N-tetradecyl-D-gluconamide
cas: 93840-73-4
formula: C23H48N2O6
inchikey: UAVRZMKKFUTHLG-YUMYIRISSA-N
norman_susdat_id: NS00063269
pubchem_cid: 44144808
smiles: O=C(N(CCCN)CCCCCCCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C23H48N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(17-14-15-24)23(31)22(30)21(29)20(28)19(27)18-26/h19-22,26-30H,2-18,24H2,1H3


name: Benzyltriphenylphosphonium phenolate
cas: 93841-04-4
formula: C25H22P.C6H5O
inchikey: PVXOJLLWTFSXQR-UHFFFAOYSA-M
norman_susdat_id: NS00091868
smiles: [O-]c1ccccc1.C(c2ccccc2)[P+](c3ccccc3)(c4ccccc4)c5ccccc5
inchi:
InChI=1/C25H22P.C6H6O/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;7-6-4-2-1-3-5-6/h1-20H,21H2;1-5,7H/q+1;/p-1


name: Dipotassium bis(3-sulphonatopropyl) methylenesuccinate
cas: 93841-09-9
chemspiderid: 2289051
dtxsid: DTXSID00239757
formula: C11H18O10S2
inchikey: BZASUCJNBDKYOZ-UHFFFAOYSA-L
norman_susdat_id: NS00039672
pubchem_cid: 3022591
smiles: [K+].[K+].[O-]S(=O)(=O)CCCOC(=O)CC(=C)C(=O)OCCCS([O-])(=O)=O
inchi:
InChI=1S/C11H18O10S2/c1-9(11(13)21-5-3-7-23(17,18)19)8-10(12)20-4-2-6-22(14,15)16/h1-8H2,(H,14,15,16)(H,17,18,19)


name: Bis(2-hydroxyethyl)(3-sulphonatopropyl)tetradecylammonium
cas: 93841-10-2
dtxsid: DTXSID60239758
formula: C21H46NO5S
inchikey: WGCAVZRGIFXOPL-UHFFFAOYSA-N
norman_susdat_id: NS00063303
pubchem_cid: 21149732
smiles: O=S(=O)([O-])CCC[N+](CCO)(CCO)CCCCCCCCCCCCCC
inchi:
InChI=1/C21H45NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-22(17-19-23,18-20-24)16-14-21-28(25,26)27/h23-24H,2-21H2,1H3


name: 3-[[imino(methylphenylamino)methyl]thio]propanesulphonic acid
cas: 93841-11-3
dtxsid: DTXSID80917566
formula: C11H16N2O3S2
inchikey: VXYYBOYEQWTFHI-UHFFFAOYSA-N
norman_susdat_id: NS00063304
pubchem_cid: 21149734
smiles: O=S(=O)(O)CCCSC(=N)N(C=1C=CC=CC1)C
inchi:
InChI=1/C11H16N2O3S2/c1-13(10-6-3-2-4-7-10)11(12)17-8-5-9-18(14,15)16/h2-4,6-7,12H,5,8-9H2,1H3,(H,14,15,16)


name: 4-(3-carboxy-2-methyl-3,3-diphenylpropyl)morpholinium hydrogen sulphate
cas: 93841-21-5
dtxsid: DTXSID80917561
formula: C21H25NO3
inchikey: OFIQJTJIXKPUGI-UHFFFAOYSA-M
norman_susdat_id: NS00063583
pubchem_cid: 567581
smiles: O=C(O)C(C=1C=CC=CC1)(C=2C=CC=CC2)C(C)C[NH+]3CCOCC3.O=S(=O)([O-])[O-]
inchi:
InChI=1/C21H25NO3.H2O4S/c1-17(16-22-12-14-25-15-13-22)21(20(23)24,18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-5(2,3)4/h2-11,17H,12-16H2,1H3,(H,23,24);(H2,1,2,3,4)/p-1


name: 5-Benzyl-5-phenylbarbituric acid
cas: 93841-22-6
chemspiderid: 2289066
dtxsid: DTXSID70239764
formula: C17H14N2O3
inchikey: RIYDTHLUCWFCEN-UHFFFAOYSA-N
norman_susdat_id: NS00039674
pubchem_cid: 3022607
smiles: O=C1NC(=O)C(Cc2ccccc2)(C(=O)N1)c1ccccc1
inchi:
InChI=1S/C17H14N2O3/c20-14-17(13-9-5-2-6-10-13,15(21)19-16(22)18-14)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,19,20,21,22)


name: Bis[(5-amino-2-methoxyphenyl)bis(2-hydroxyethyl)ammonium] sulphate
cas: 93841-26-0
formula: C11H18N2O3.1/2H2O4S
inchikey: JJQFXEZZJHYJAW-UHFFFAOYSA-N
norman_susdat_id: NS00091607
smiles: COc1ccc(N)cc1[NH+](CCO)CCO.COc2ccc(N)cc2[NH+](CCO)CCO.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C11H18N2O3.H2O4S/c2*1-16-11-3-2-9(12)8-10(11)13(4-6-14)5-7-15;1-5(2,3)4/h2*2-3,8,14-15H,4-7,12H2,1H3;(H2,1,2,3,4)


name: 1,3-Bis(2,4-bis(dimethylamino)phenyl)thiourea
cas: 93841-28-2
chemspiderid: 2289068
dtxsid: DTXSID90239766
formula: C21H32N6S1
inchikey: DOAPFSSPSUJBMP-UHFFFAOYSA-N
norman_susdat_id: NS00039676
pubchem_cid: 3022609
smiles: CN(C)C1=CC(N(C)C)=C(NC(=S)NC2=C(C=C(C=C2)N(C)C)N(C)C)C=C1
inchi:
InChI=1S/C21H32N6S/c1-24(2)15-9-11-17(19(13-15)26(5)6)22-21(28)23-18-12-10-16(25(3)4)14-20(18)27(7)8/h9-14H,1-8H3,(H2,22,23,28)


name: 3,3'-[(dibromomethylene)bis(sulphonyl)]bis(1H-1,2,4-triazole)
cas: 93841-31-7
dtxsid: DTXSID90917557
formula: C5H4Br2N6O4S2
inchikey: OAGYRIWYDSEJQT-UHFFFAOYSA-N
norman_susdat_id: NS00064777
pubchem_cid: 44149547
smiles: O=S(=O)(C=1N=CNN1)C(Br)(Br)S(=O)(=O)C=2N=CNN2
inchi:
InChI=1/C5H4Br2N6O4S2/c6-5(7,18(14,15)3-8-1-10-12-3)19(16,17)4-9-2-11-13-4/h1-2H,(H,8,10,12)(H,9,11,13)


name: Potassium 2-hydrazono-2,3-dihydro-3-methylbenzothiazole-4-sulphonate monohydrochloride
cas: 93841-32-8
formula: C8H9N3O3S2
inchikey: BGQYMYPEJXQXMT-UHFFFAOYSA-M
norman_susdat_id: NS00063902
pubchem_cid: 3022612
smiles: [K+].Cl.O=S(=O)([O-])C=1C=CC=C2SC(=NN)N(C21)C
inchi:
InChI=1/C8H9N3O3S2.ClH.K/c1-11-7-5(15-8(11)10-9)3-2-4-6(7)16(12,13)14;;/h2-4H,9H2,1H3,(H,12,13,14);1H;/q;;+1/p-1


name: 2'-Deoxyinosine 5'-monophosphate
cas: 93841-33-9
chebiid: CHEBI:28806
chemspiderid: 65474
formula: C10H13N4O7P1
inchikey: PHNGFPPXDJJADG-RRKCRQDMSA-N
norman_susdat_id: NS00015248
pubchem_cid: 91531
smiles: C1C(C(OC1N2C=NC3=C2NC=NC3=O)COP(=O)(O)O)O
inchi:
InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1


name: 7-cyclopentyl-3,4-dihydro-4-isopropyl-2,2-dimethyl-2H-1-benzopyran-4-ol
cas: 93841-37-3
dtxsid: DTXSID10917554
formula: C19H28O2
inchikey: YGQOICKVIRXMKU-UHFFFAOYSA-N
norman_susdat_id: NS00063327
pubchem_cid: 16205817
smiles: OC1(C2=CC=C(C=C2OC(C)(C)C1)C3CCCC3)C(C)C
inchi:
InChI=1/C19H28O2/c1-13(2)19(20)12-18(3,4)21-17-11-15(9-10-16(17)19)14-7-5-6-8-14/h9-11,13-14,20H,5-8,12H2,1-4H3


name: 2-Cyclooctyl-6-cyclopentylphenol
cas: 93841-40-8
chemspiderid: 2289073
dtxsid: DTXSID80239770
formula: C19H28O1
inchikey: SPYCTJYQSHLVPR-UHFFFAOYSA-N
norman_susdat_id: NS00039680
pubchem_cid: 3022616
smiles: Oc1c(cccc1C1CCCC1)C1CCCCCCC1
inchi:
InChI=1S/C19H28O/c20-19-17(15-9-4-2-1-3-5-10-15)13-8-14-18(19)16-11-6-7-12-16/h8,13-16,20H,1-7,9-12H2


name: 2-[(tributylstannyl)oxy]-N-[2-[(tributylstannyl)oxy]ethyl]ethylamine
cas: 93841-41-9
formula: C28H63NO2Sn2
inchikey: YPJRVYXUOGFXST-UHFFFAOYSA-N
norman_susdat_id: NS00063328
pubchem_cid: 16702832
smiles: O(CCNCCO[Sn](CCCC)(CCCC)CCCC)[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/C4H9NO2.6C4H9.2Sn/c6-3-1-5-2-4-7;6*1-3-4-2;;/h5H,1-4H2;6*1,3-4H2,2H3;;/q-2;;;;;;;2*+1/rC28H63NO2Sn2/c1-7-13-23-32(24-14-8-2,25-15-9-3)30-21-19-29-20-22-31-33(26-16-10-4,27-17-11-5)28-18-12-6/h29H,7-28H2,1-6H3


name: N,N'-[(dibutylstannylene)bis(oxy)]bis[N-nitrosocyclohexylamine]
cas: 93841-42-0
formula: C20H40N4O4Sn
inchikey: OTCGVIBGKLIRHW-UHFFFAOYSA-N
norman_susdat_id: NS00063329
pubchem_cid: NA
smiles: O=NN(O[Sn](ON(N=O)C1CCCCC1)(CCCC)CCCC)C2CCCCC2
inchi:
InChI=1/2C6H11N2O2.2C4H9.Sn/c2*9-7-8(10)6-4-2-1-3-5-6;2*1-3-4-2;/h2*6H,1-5H2;2*1,3-4H2,2H3;/q2*-1;;;+2/rC20H40N4O4Sn/c1-3-5-17-29(18-6-4-2,27-23(21-25)19-13-9-7-10-14-19)28-24(22-26)20-15-11-8-12-16-20/h19-20H,3-18H2,1-2H3


name: 1,3-dibutyl-1,1,3,3-tetrachlorodistannoxane
cas: 93841-43-1
formula: C8H18Cl4OSn2
inchikey: APFUNHDVSKJROC-UHFFFAOYSA-J
norman_susdat_id: NS00063349
pubchem_cid: 22051640
smiles: Cl[Sn](Cl)(O[Sn](Cl)(Cl)CCCC)CCCC
inchi:
InChI=1/2C4H9.4ClH.O.2Sn/c2*1-3-4-2;;;;;;;/h2*1,3-4H2,2H3;4*1H;;;/q;;;;;;;2*+2/p-4/rC8H18Cl4OSn2/c1-3-5-7-14(9,10)13-15(11,12)8-6-4-2/h3-8H2,1-2H3


name: Bis(octahydro-4,7-methano-1H-inden-2-yl)hydroquinone
cas: 93841-45-3
dtxsid: DTXSID50917553
formula: C26H34O2
inchikey: LRUURYXTKSHHJY-UHFFFAOYSA-N
norman_susdat_id: NS00063585
pubchem_cid: 44150335
smiles: OC1=CC=C(O)C(=C1C2CC3C4CCC(C4)C3C2)C5CC6C7CCC(C7)C6C5
inchi:
InChI=1/C26H34O2/c27-23-5-6-24(28)26(18-11-21-15-3-4-16(8-15)22(21)12-18)25(23)17-9-19-13-1-2-14(7-13)20(19)10-17/h5-6,13-22,27-28H,1-4,7-12H2


name: Dicyclooctylhydroquinone
cas: 93841-46-4
chemspiderid: 2289074
dtxsid: DTXSID40239771
formula: C22H34O2
inchikey: SXJGRKIPOFQDCT-UHFFFAOYSA-N
norman_susdat_id: NS00039681
pubchem_cid: 3022617
smiles: OC1=C(C2CCCCCCC2)C(C2CCCCCCC2)=C(O)C=C1
inchi:
InChI=1S/C22H34O2/c23-19-15-16-20(24)22(18-13-9-5-2-6-10-14-18)21(19)17-11-7-3-1-4-8-12-17/h15-18,23-24H,1-14H2


name: 9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazolium iodide
cas: 93841-50-0
dtxsid: DTXSID60917549
formula: C19H19N2O
inchikey: UMHIZUSDRRRZIC-UHFFFAOYSA-N
norman_susdat_id: NS00063350
pubchem_cid: 125823
smiles: [I-].O(C1=CC=C2NC=3C(C2=C1)=C(C=4C=[N+](C=CC4C3C)C)C)C
inchi:
InChI=1/C19H18N2O.HI/c1-11-16-10-21(3)8-7-14(16)12(2)19-18(11)15-9-13(22-4)5-6-17(15)20-19;/h5-10H,1-4H3;1H


name: (R)-(((Allyloxy)carbonyl)amino)(3-chloro-4-hydroxyphenyl)acetic acid
cas: 93841-52-2
chemspiderid: 2289077
dtxsid: DTXSID00239772
formula: C12H12Cl1N1O5
inchikey: XQXHWLUNAJQYRV-SNVBAGLBSA-N
norman_susdat_id: NS00039682
pubchem_cid: 21149736
smiles: OC(=O)[C@H](NC(=O)OCC=C)c1cc(Cl)c(O)cc1
inchi:
InChI=1S/C12H12ClNO5/c1-2-5-19-12(18)14-10(11(16)17)7-3-4-9(15)8(13)6-7/h2-4,6,10,15H,1,5H2,(H,14,18)(H,16,17)/t10-/m1/s1


name: 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol hydrobromide
cas: 93841-53-3
formula: C17H14N2O.BrH
inchikey: VFVURWBESHQRSY-UHFFFAOYSA-N
norman_susdat_id: NS00091871
smiles: Br.Cc1c2ccncc2c(C)c3c4cc(O)ccc4[nH]c13
inchi:
InChI=1/C17H14N2O.BrH/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17;/h3-8,19-20H,1-2H3;1H


name: 2-benzyl-2,3,4,6-tetrahydro-9-methoxy-1,5-dimethyl-1H-pyrido[4,3-b]carbazole
cas: 93841-54-4
dtxsid: DTXSID80917546
formula: C25H26N2O
inchikey: SNWJXHHMBDJMIW-UHFFFAOYSA-N
norman_susdat_id: NS00063586
pubchem_cid: 44149347
smiles: O(C1=CC=C2NC3=C(C=C4C(=C3C)CCN(CC=5C=CC=CC5)C4C)C2=C1)C
inchi:
InChI=1/C25H26N2O/c1-16-20-11-12-27(15-18-7-5-4-6-8-18)17(2)21(20)14-23-22-13-19(28-3)9-10-24(22)26-25(16)23/h4-10,13-14,17,26H,11-12,15H2,1-3H3


name: N-(2-(6-Methoxy-1-methyl-9H-carbazol-2-yl)ethyl)-N-(phenylmethyl)acetamide
cas: 93841-55-5
chemspiderid: 2289078
dtxsid: DTXSID60239773
formula: C25H26N2O2
inchikey: IIJIFXSCYADHHB-UHFFFAOYSA-N
norman_susdat_id: NS00039683
pubchem_cid: 3022621
smiles: COc1ccc2[nH]c3c(ccc(CCN(Cc4ccccc4)C(=O)C)c3C)c2c1
inchi:
InChI=1S/C25H26N2O2/c1-17-20(13-14-27(18(2)28)16-19-7-5-4-6-8-19)9-11-22-23-15-21(29-3)10-12-24(23)26-25(17)22/h4-12,15,26H,13-14,16H2,1-3H3


name: 9-hydroxy-1,2,5,6-tetramethyl-6H-pyrido[4,3-b]carbazolium acetate
cas: 93841-59-9
dtxsid: DTXSID00917543
formula: C19H19N2O
inchikey: DQJPJEAMOPDJHG-UHFFFAOYSA-N
norman_susdat_id: NS00063603
pubchem_cid: 57356132
smiles: O=C([O-])C.OC1=CC=C2C(=C1)C=3C=C4C(C=C[N+](=C4C)C)=C(C3N2C)C
inchi:
InChI=1/C19H18N2O.C2H4O2/c1-11-14-7-8-20(3)12(2)15(14)10-17-16-9-13(22)5-6-18(16)21(4)19(11)17;1-2(3)4/h5-10H,1-4H3;1H3,(H,3,4)


name: N-(2-(6-Methoxy-1-methyl-9H-carbazol-2-yl)ethyl)-N-methylacetamide
cas: 93841-60-2
chemspiderid: 2289079
dtxsid: DTXSID20239774
formula: C19H22N2O2
inchikey: AVOQHFGBRPLGTD-UHFFFAOYSA-N
norman_susdat_id: NS00039684
pubchem_cid: 3022622
smiles: COc1ccc2[nH]c3c(ccc(CCN(C)C(=O)C)c3C)c2c1
inchi:
InChI=1S/C19H22N2O2/c1-12-14(9-10-21(3)13(2)22)5-7-16-17-11-15(23-4)6-8-18(17)20-19(12)16/h5-8,11,20H,9-10H2,1-4H3


name: 2,2-dimethoxyethyl[(6-methoxy-1,4-dimethyl-9H-carbazol-3-yl)methylene]amine
cas: 93841-62-4
formula: NA
inchikey: RNHYBKIMERJWKO-UHFFFAOYSA-N
norman_susdat_id: NS00064793
pubchem_cid: 3022623
smiles: COC(OC)CN=Cc2cc(C)c3nc1ccc(OC)cc1c3c2C
inchi:
InChI=1/C20H24N2O3/c1-12-8-14(10-21-11-18(24-4)25-5)13(2)19-16-9-15(23-3)6-7-17(16)22-20(12)19/h6-10,18,22H,11H2,1-5H3


name: 4-methyl-2-(15-methylhexadecyl)-2-oxazoline-4-methanol
cas: 93841-66-8
dtxsid: DTXSID10917539
formula: C22H43NO2
inchikey: OAQSAZVSDJOSNY-UHFFFAOYSA-N
norman_susdat_id: NS00063605
pubchem_cid: 44151032
smiles: OCC1(N=C(OC1)CCCCCCCCCCCCCCC(C)C)C
inchi:
InChI=1/C22H43NO2/c1-20(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-21-23-22(3,18-24)19-25-21/h20,24H,4-19H2,1-3H3


name: 4-ethyl-2-(15-methylhexadecyl)-2-oxazoline-4-methanol
cas: 93841-67-9
dtxsid: DTXSID50917538
formula: C23H45NO2
inchikey: AUOMWSWJGGLARG-UHFFFAOYSA-N
norman_susdat_id: NS00063904
pubchem_cid: 44144958
smiles: OCC1(N=C(OC1)CCCCCCCCCCCCCCC(C)C)CC
inchi:
InChI=1/C23H45NO2/c1-4-23(19-25)20-26-22(24-23)18-16-14-12-10-8-6-5-7-9-11-13-15-17-21(2)3/h21,25H,4-20H2,1-3H3


name: 2-(15-methylhexadecyl)-2-oxazoline-4,4-dimethanol
cas: 93841-68-0
dtxsid: DTXSID90917537
formula: C22H43NO3
inchikey: LLLDDDDBYVCSGR-UHFFFAOYSA-N
norman_susdat_id: NS00063926
pubchem_cid: 21687889
smiles: OCC1(N=C(OC1)CCCCCCCCCCCCCCC(C)C)CO
inchi:
InChI=1/C22H43NO3/c1-20(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-23-22(17-24,18-25)19-26-21/h20,24-25H,3-19H2,1-2H3


name: 4-ethyl-2-henicosyl-4,5-dihydrooxazole-4-methanol
cas: 93841-69-1
dtxsid: DTXSID30917536
formula: C27H53NO2
inchikey: SHDGHDNPKUYOTR-UHFFFAOYSA-N
norman_susdat_id: NS00063608
pubchem_cid: 3022624
smiles: OCC1(N=C(OC1)CCCCCCCCCCCCCCCCCCCCC)CC
inchi:
InChI=1/C27H53NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-28-27(4-2,24-29)25-30-26/h29H,3-25H2,1-2H3


name: [2-henicosyl-4,5-dihydro-4-(hydroxymethyl)oxazol-4-yl]methyl docosanoate
cas: 93841-70-4
dtxsid: DTXSID70917535
formula: C48H93NO4
inchikey: MZMIGGKGVCIIDX-UHFFFAOYSA-N
norman_susdat_id: NS00063928
pubchem_cid: 3022625
smiles: O=C(OCC1(N=C(OC1)CCCCCCCCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C48H93NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46-49-48(43-50,44-52-46)45-53-47(51)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h50H,3-45H2,1-2H3


name: 2,2'-[(2-undecyloxazol-4(5H)-ylidene)bis(methyleneoxy)]bisethanol
cas: 93841-72-6
dtxsid: DTXSID50917533
formula: C20H39NO5
inchikey: LVTVNBZPWLZHIS-UHFFFAOYSA-N
norman_susdat_id: NS00064796
pubchem_cid: 44153030
smiles: OCCOCC1(N=C(OC1)CCCCCCCCCCC)COCCO
inchi:
InChI=1/C20H39NO5/c1-2-3-4-5-6-7-8-9-10-11-19-21-20(18-26-19,16-24-14-12-22)17-25-15-13-23/h22-23H,2-18H2,1H3


name: Octaammonium [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 93841-73-7
formula: C10H28N2O12P4.8H3N
inchikey: PNDLZZIKYZCASU-UHFFFAOYSA-N
norman_susdat_id: NS00091735
inchi:
InChI=1/C10H28N2O12P4.8H3N/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);8*1H3

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93841-74-8
formula: C9H28N3O15P5.6Na
inchikey: RGIYWVNNHVURLO-UHFFFAOYSA-D
norman_susdat_id: NS00092350
name:
Hexasodium tetrahydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C9H28N3O15P5.6Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;/q;6*+1/p-10

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93841-75-9
formula: C9H28N3O15P5.9Na
inchikey: LSQTZDWXOCRSTA-UHFFFAOYSA-D
norman_susdat_id: NS00091618
name:
Nonasodium hydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C9H28N3O15P5.9Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;;;;/q;9*+1/p-10

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: Decasodium [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate
cas: 93841-76-0
formula: C9H28N3O15P5.10Na
inchikey: PZWNKBUDRGSEOU-UHFFFAOYSA-D
norman_susdat_id: NS00092472
inchi:
InChI=1/C9H28N3O15P5.10Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;;;;;/q;10*+1/p-10

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93841-77-1
formula: C9H28N3O15P5.6K
inchikey: OXMJSSBBCPOHIN-UHFFFAOYSA-D
norman_susdat_id: NS00091790
name:
Hexapotassium tetrahydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C9H28N3O15P5.6K/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;/q;6*+1/p-10

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: Cyamemazine
cas: 93841-82-8
dtxsid: DTXSID80863190
formula: C19H21N3S
inchikey: SLFGIOIONGJGRT-CQSZACIVSA-N
norman_susdat_id: NS00068041
pubchem_cid: 14050068
smiles: C[C@H](CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21
inchi:
InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3/t14-/m1/s1


name: 10,11-dihydro-5-methyl-10-(methylammonio)-5H-dibenz[b,f]azepinium fumarate
cas: 93841-84-0
formula: C16H18N2.C4H4O4
inchikey: YQROWEVOSZDTPZ-WLHGVMLRSA-N
norman_susdat_id: NS00091852
smiles: C[NH2+]C1Cc2ccccc2[NH+](C)c3ccccc13.[O-]C(=O)\C=C\C(=O)[O-]
inchi:
InChI=1/C16H18N2.C4H4O4/c1-17-14-11-12-7-3-5-9-15(12)18(2)16-10-6-4-8-13(14)16;5-3(6)1-2-4(7)8/h3-10,14,17H,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)


cas: 93842-78-5
formula: C18H52N6O24P8.15H3N
inchikey: FKNKHKZFUGTZKR-UHFFFAOYSA-M
norman_susdat_id: NS00093448
name:
Pentadecaammonium hydrogen [[3,6,9,12-tetrakis(phosphonatomethyl)-3,6,9,12-tetraazatetradecane-1,14-diyl]bis[nitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C18H52N6O24P8.15H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);15*1H3/p-1

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93842-79-6
formula: C18H52N6O24P8.16H3N
inchikey: JLVYNZFXTOYJSQ-UHFFFAOYSA-N
norman_susdat_id: NS00093437
name:
Hexadecaammonium [[3,6,9,12-tetrakis(phosphonatomethyl)-3,6,9,12-tetraazatetradecane-1,14-diyl]bis[nitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C18H52N6O24P8.16H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);16*1H3

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: HYDROXYETHYL STEAR- AMIDE-MIPA
cas: 93842-81-0
chemspiderid: 2289084
formula: C23H47N1O3
inchikey: XWMOKHVPUSDTLM-UHFFFAOYSA-N
norman_susdat_id: NS00013757
pubchem_cid: 3022627
smiles: CCCCCCCCCCCCCCCCCC(=O)NCC(C)OCCO
inchi:
InChI=1S/C23H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)24-21-22(2)27-20-19-25/h22,25H,3-21H2,1-2H3,(H,24,26)


name: Benzyldiethyl[1-methyl-2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 93842-83-2
dtxsid: DTXSID40917527
formula: C18H28NO2
inchikey: KGERKPITQIXMGT-UHFFFAOYSA-M
norman_susdat_id: NS00063737
pubchem_cid: 3022629
smiles: [Cl-].O=C(OCC(C)[N+](CC=1C=CC=CC1)(CC)CC)C(=C)C
inchi:
InChI=1/C18H28NO2.ClH/c1-6-19(7-2,13-17-11-9-8-10-12-17)16(5)14-21-18(20)15(3)4;/h8-12,16H,3,6-7,13-14H2,1-2,4-5H3;1H/q+1;/p-1


name: Benzyldiethyl[2-[(2-methyl-1-oxoallyl)oxy]propyl]ammonium chloride
cas: 93842-84-3
dtxsid: DTXSID80917526
formula: C18H28NO2
inchikey: CCCLZKISYVLFLD-UHFFFAOYSA-M
norman_susdat_id: NS00063853
pubchem_cid: 3022631
smiles: [Cl-].O=C(OC(C)C[N+](CC=1C=CC=CC1)(CC)CC)C(=C)C
inchi:
InChI=1/C18H28NO2.ClH/c1-6-19(7-2,14-17-11-9-8-10-12-17)13-16(5)21-18(20)15(3)4;/h8-12,16H,3,6-7,13-14H2,1-2,4-5H3;1H/q+1;/p-1


name: Diethylmethyl[1-methyl-1-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium methyl sulphate
cas: 93842-86-5
dtxsid: DTXSID00239777
formula: C12H23NO2
inchikey: ROCNIIWFKNMTHF-UHFFFAOYSA-N
norman_susdat_id: NS00063854
pubchem_cid: 3022633
smiles: O=C(OC(C)(C)[NH2+]C(CC)CC)C(=C)C.O=S(=O)([O-])OC
inchi:
InChI=1/C12H23NO2.CH4O4S/c1-7-10(8-2)13-12(5,6)15-11(14)9(3)4;1-5-6(2,3)4/h10,13H,3,7-8H2,1-2,4-6H3;1H3,(H,2,3,4)


name: Diethylmethyl[2-[(2-methyl-1-oxoallyl)oxy]propyl]ammonium methyl sulphate
cas: 93842-88-7
dtxsid: DTXSID20917525
formula: C12H23NO2
inchikey: APWBKRHBMRNPHF-UHFFFAOYSA-N
norman_susdat_id: NS00063855
pubchem_cid: 3018071
smiles: O=C(OC(C)C[NH2+]C(CC)CC)C(=C)C.O=S(=O)([O-])OC
inchi:
InChI=1/C12H23NO2.CH4O4S/c1-6-11(7-2)13-8-10(5)15-12(14)9(3)4;1-5-6(2,3)4/h10-11,13H,3,6-8H2,1-2,4-5H3;1H3,(H,2,3,4)


name: Methyl 2-[(2-methyl-1-oxoallyl)oxy]-1-methylethyltrimethylammonium sulphate
cas: 93842-93-4
dtxsid: DTXSID80917521
formula: C10H20NO2
inchikey: LHVUPQLAGGMVMP-UHFFFAOYSA-M
norman_susdat_id: NS00063758
pubchem_cid: 44147473
smiles: O=C(OCC(C)[N+](C)(C)C)C(=C)C.O=S(=O)([O-])OC
inchi:
InChI=1/C10H20NO2.CH4O4S/c1-8(2)10(12)13-7-9(3)11(4,5)6;1-5-6(2,3)4/h9H,1,7H2,2-6H3;1H3,(H,2,3,4)/q+1;/p-1


name: Diethylmethyl[1-methyl-1-[(1-oxoallyl)oxy]ethyl]ammonium sulphate
cas: 93842-95-6
dtxsid: DTXSID60239778
formula: C11H22NO2
inchikey: LYHRLOGYIPIFEV-UHFFFAOYSA-L
norman_susdat_id: NS00063856
pubchem_cid: 21149739
smiles: O=C(OC(C)(C)[N+](C)(CC)CC)C=C.O=C(OC(C)(C)[N+](C)(CC)CC)C=C.O=S(=O)([O-])[O-]
inchi:
InChI=1/2C11H22NO2.H2O4S/c2*1-7-10(13)14-11(4,5)12(6,8-2)9-3;1-5(2,3)4/h2*7H,1,8-9H2,2-6H3;(H2,1,2,3,4)/q2*+1;/p-2


name: 1-carboxyethyl stearate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 93843-03-9
formula: C21H40O4.C6H15NO3
inchikey: HPDAKEPIOVJUBR-UHFFFAOYSA-N
norman_susdat_id: NS00092278
smiles: CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C21H40O4.C6H15NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;8-4-1-7(2-5-9)3-6-10/h19H,3-18H2,1-2H3,(H,23,24);8-10H,1-6H2


name: Bis[2-(diethylamino)ethyl] tetrapropenylsuccinate
cas: 93843-27-7
formula: C28H48N2O4
inchikey: JRINUDKUYYDBPW-UHFFFAOYSA-N
norman_susdat_id: NS00063184
pubchem_cid: 411819
smiles: O=C(OCCN(CC)CC)C(C=CC)(C=CC)C(C=CC)(C=CC)C(=O)OCCN(CC)CC
inchi:
InChI=1/C28H48N2O4/c1-9-17-27(18-10-2,25(31)33-23-21-29(13-5)14-6)28(19-11-3,20-12-4)26(32)34-24-22-30(15-7)16-8/h9-12,17-20H,13-16,21-24H2,1-8H3


name: 14-(p-chloro-m-methylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol
cas: 93856-87-2
dtxsid: DTXSID80917485
formula: C17H27ClO6
inchikey: LSJIVUWAPHUOFU-UHFFFAOYSA-N
norman_susdat_id: NS00064677
pubchem_cid: 44152041
smiles: ClC1=CC=C(OCCOCCOCCOCCOCCO)C=C1C
inchi:
InChI=1/C17H27ClO6/c1-15-14-16(2-3-17(15)18)24-13-12-23-11-10-22-9-8-21-7-6-20-5-4-19/h2-3,14,19H,4-13H2,1H3


name: Diethyl[2-[3-(p-methoxyphenyl)-2-phenylpropionyloxy]ethyl]ammonium oleate
cas: 93856-89-4
formula: C22H29NO3.C18H34O2
inchikey: LHFUHUWGYXOKFS-SVMKZPJVSA-N
norman_susdat_id: NS00091536
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CC[NH+](CC)CCOC(=O)C(Cc1ccc(OC)cc1)c2ccccc2
inchi:
InChI=1/C22H29NO3.C18H34O2/c1-4-23(5-2)15-16-26-22(24)21(19-9-7-6-8-10-19)17-18-11-13-20(25-3)14-12-18;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-14,21H,4-5,15-17H2,1-3H3;9-10H,2-8,11-17H2,1H3,(H,19,20)


name: 2-ammonioethyl L-arginine phosphate
cas: 93856-90-7
formula: C6H14N4O2.C2H8NO4P
inchikey: KPUSLFZICUAWHG-WCCKRBBISA-M
norman_susdat_id: NS00091817
smiles: N[C@@H](CCCNC(=N)N)C(=O)O.[NH3+]CCOP(=O)([O-])[O-]
inchi:
InChI=1/C6H14N4O2.C2H8NO4P/c7-4(5(11)12)2-1-3-10-6(8)9;3-1-2-7-8(4,5)6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-3H2,(H2,4,5,6)/p-1


name: 1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-isopropylurea
cas: 93856-91-8
dtxsid: DTXSID00917482
formula: C13H20N3O5
inchikey: JPSUYHCCZCEGKQ-UHFFFAOYSA-N
norman_susdat_id: NS00063458
pubchem_cid: 3022658
smiles: O=C(NC(C)C)NC(CO)C(O)C1=CC=C(C=C1)[N+](=O)[O-]
inchi:
InChI=1/C13H19N3O5/c1-8(2)14-13(19)15-11(7-17)12(18)9-3-5-10(6-4-9)16(20)21/h3-6,8,11-12,17-18H,7H2,1-2H3,(H2,14,15,19)


name: 3-allyl-1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]thiourea
cas: 93856-92-9
dtxsid: DTXSID40917481
formula: C13H18N3O4S
inchikey: TWJSRGVAULVARB-UHFFFAOYSA-N
norman_susdat_id: NS00063186
pubchem_cid: 3022659
smiles: O=[N+]([O-])C1=CC=C(C=C1)C(O)C(NC(=S)NCC=C)CO
inchi:
InChI=1/C13H17N3O4S/c1-2-7-14-13(21)15-11(8-17)12(18)9-3-5-10(6-4-9)16(19)20/h2-6,11-12,17-18H,1,7-8H2,(H2,14,15,21)


name: Ethyl [2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-carbamate
cas: 93856-93-0
dtxsid: DTXSID80917480
formula: C12H17N2O6
inchikey: BTELZCMNUQBOJV-UHFFFAOYSA-N
norman_susdat_id: NS00064700
pubchem_cid: 16205821
smiles: O=C(OCC)NC(CO)C(O)C1=CC=C(C=C1)[N+](=O)[O-]
inchi:
InChI=1/C12H16N2O6/c1-2-20-12(17)13-10(7-15)11(16)8-3-5-9(6-4-8)14(18)19/h3-6,10-11,15-16H,2,7H2,1H3,(H,13,17)


name: 2,3,3-trichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acrylamide
cas: 93856-95-2
dtxsid: DTXSID10917478
formula: C12H12Cl3N2O5
inchikey: BYMMCVVSJVRBBG-UHFFFAOYSA-N
norman_susdat_id: NS00063789
pubchem_cid: 3022662
smiles: O=C(NC(CO)C(O)C1=CC=C(C=C1)[N+](=O)[O-])C(Cl)=C(Cl)Cl
inchi:
InChI=1/C12H11Cl3N2O5/c13-9(11(14)15)12(20)16-8(5-18)10(19)6-1-3-7(4-2-6)17(21)22/h1-4,8,10,18-19H,5H2,(H,16,20)


name: 1-(3,4-dichlorophenyl)-3-[3-[(trifluoromethyl)thio]phenyl]urea
cas: 93856-96-3
dtxsid: DTXSID10239788
formula: C14H9Cl2F3N2OS
inchikey: HMYXMPYYJLJTFD-UHFFFAOYSA-N
norman_susdat_id: NS00064701
pubchem_cid: 3022663
smiles: O=C(NC=1C=CC=C(SC(F)(F)F)C1)NC2=CC=C(Cl)C(Cl)=C2
inchi:
InChI=1/C14H9Cl2F3N2OS/c15-11-5-4-9(7-12(11)16)21-13(22)20-8-2-1-3-10(6-8)23-14(17,18)19/h1-7H,(H2,20,21,22)


name: Disodium methylenebis(methoxybenzenesulphonate)
cas: 93857-04-6
dtxsid: DTXSID70917474
formula: C15H16O8S2
inchikey: ZUOOTLGJABECBZ-UHFFFAOYSA-L
norman_susdat_id: NS00063460
pubchem_cid: 44149817
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1OC)CC2=CC=CC(=C2OC)S(=O)(=O)[O-]
inchi:
InChI=1/C15H16O8S2.2Na/c1-22-14-10(5-3-7-12(14)24(16,17)18)9-11-6-4-8-13(15(11)23-2)25(19,20)21;;/h3-8H,9H2,1-2H3,(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2


name: Choline 2,5-dihydroxybenzoate
cas: 93857-07-9
formula: C7H5O4.C5H14NO
inchikey: DBIKXMHOALQSFK-UHFFFAOYSA-M
norman_susdat_id: NS00091693
smiles: C[N+](C)(C)CCO.Oc1ccc(O)c(c1)C(=O)[O-]
inchi:
InChI=1/C7H6O4.C5H14NO/c8-4-1-2-6(9)5(3-4)7(10)11;1-6(2,3)4-5-7/h1-3,8-9H,(H,10,11);7H,4-5H2,1-3H3/q;+1/p-1


cas: 93857-08-0
dtxsid: DTXSID50917472
formula: C14H23N3O5
inchikey: RPUBORWQSLGALI-UHFFFAOYSA-N
norman_susdat_id: NS00063791
pubchem_cid: NA
smiles: [Cl-].O=C(NC(CO)C(O)C1=CC=C(C=C1)[N+](=O)[O-])C[N+](C)(C)C
name:
[2-[[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]-2-oxoethyl]trimethylammonium chloride

inchi:
InChI=1/C14H21N3O5.ClH/c1-17(2,3)8-13(19)15-12(9-18)14(20)10-4-6-11(7-5-10)16(21)22;/h4-7,12,14,18,20H,8-9H2,1-3H3;1H


name: Hexyl dihydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 93857-10-4
formula: C6H15NO3.C6H15O4P
inchikey: YGUAJFADJQQNEX-UHFFFAOYSA-N
norman_susdat_id: NS00091694
smiles: CCCCCCOP(O)(O)=O.OCCN(CCO)CCO
inchi:
InChI=1/C6H15NO3.C6H15O4P/c8-4-1-7(2-5-9)3-6-10;1-2-3-4-5-6-10-11(7,8)9/h8-10H,1-6H2;2-6H2,1H3,(H2,7,8,9)


name: 1-ethyl-4,5-dihydro-1-(2-hydroxyethyl)-2-pentadecyl-1H-imidazolium ethyl sulphate
cas: 93857-12-6
dtxsid: DTXSID20917469
formula: C22H45N2O
inchikey: JGBVQNNMUYESIE-UHFFFAOYSA-M
norman_susdat_id: NS00063461
pubchem_cid: 44153974
smiles: O=S(=O)([O-])OCC.OCC[N+]1(C(=NCC1)CCCCCCCCCCCCCCC)CC
inchi:
InChI=1/C22H45N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22,4-2)20-21-25;1-2-6-7(3,4)5/h25H,3-21H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Dodecyltris(lauroyloxy)stannane
cas: 93857-17-1
dtxsid: DTXSID40239791
formula: C48H94O6Sn
inchikey: COBQHCOQMZLUPS-UHFFFAOYSA-K
norman_susdat_id: NS00064702
pubchem_cid: 16684543
smiles: O=C(O[Sn](OC(=O)CCCCCCCCCCC)(OC(=O)CCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/3C12H24O2.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-7-9-11-12-10-8-6-4-2;/h3*2-11H2,1H3,(H,13,14);1,3-12H2,2H3;/q;;;;+3/p-3/rC48H94O6Sn/c1-5-9-13-17-21-25-29-33-37-41-45-55(52-46(49)42-38-34-30-26-22-18-14-10-6-2,53-47(50)43-39-35-31-27-23-19-15-11-7-3)54-48(51)44-40-36-32-28-24-20-16-12-8-4/h5-45H2,1-4H3


name: Ethylene bis[[(8-dodecyl-5,11-dioxo-1,4-dioxa-7,9-dithia-8-stannacycloundec-8-yl)thio]acetate]
cas: 93857-18-2
formula: C42H74O12S6Sn2
inchikey: NOGXUYYAAIDCMR-UHFFFAOYSA-H
norman_susdat_id: NS00063490
pubchem_cid: 44146641
smiles: O=C1OCCOC(=O)CS[Sn](SC1)(SCC(=O)OCCOC(=O)CS[Sn]2(SCC(=O)OCCOC(=O)CS2)CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C12H25.3C6H10O4S2.2Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;3*7-5(3-11)9-1-2-10-6(8)4-12;;/h2*1,3-12H2,2H3;3*11-12H,1-4H2;;/q;;;;;2*+3/p-6/rC42H74O12S6Sn2/c1-3-5-7-9-11-13-15-17-19-21-29-61(55-31-37(43)49-23-24-50-38(44)32-56-61)59-35-41(47)53-27-28-54-42(48)36-60-62(30-22-20-18-16-14-12-10-8-6-4-2)57-33-39(45)51-25-26-52-40(46)34-58-62/h3-36H2,1-2H3


name: 5-oxo-L-proline, compound with 2-(dimethylamino)ethyl (4-chlorophenoxy)acetate (1:1)
cas: 93857-19-3
formula: C12H16ClNO3.C5H7NO3
inchikey: BVAXVQNKFUKCTJ-HVDRVSQOSA-N
norman_susdat_id: NS00091701
smiles: CN(C)CCOC(=O)COc1ccc(Cl)cc1.OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1/C12H16ClNO3.C5H7NO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11;7-4-2-1-3(6-4)5(8)9/h3-6H,7-9H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)


cas: 93857-20-6
formula: C21H26N2S2.C5H7NO3
inchikey: UKWGKTMQOARSQD-HVDRVSQOSA-N
norman_susdat_id: NS00091831
smiles: CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1.OC(=O)[C@@H]5CCC(=O)N5
name:
5-oxo-L-proline, compound with 10-[2-(1-methyl-2-piperidyl)ethyl]-2-(methylthio)-10H-phenothiazine (1:1)

inchi:
InChI=1/C21H26N2S2.C5H7NO3/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23;7-4-2-1-3(6-4)5(8)9/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:1)
cas: 93857-21-7
formula: C11H12N2O.C5H7NO3
inchikey: YTWNFHOFEVWHSM-HVDRVSQOSA-N
norman_susdat_id: NS00091548
smiles: CN1N(C(=O)C=C1C)c2ccccc2.OC(=O)[C@@H]3CCC(=O)N3
inchi:
InChI=1/C11H12N2O.C5H7NO3/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;7-4-2-1-3(6-4)5(8)9/h3-8H,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 5'a-benzyl-12'-hydroxy-2'-methylergotaman-3',6',18-trione (1:1)
cas: 93857-22-8
formula: C33H35N5O5.C5H7NO3
inchikey: PRQPXYYXDJARKR-ANVJEPNWSA-N
norman_susdat_id: NS00091832
inchi:
InChI=1/C33H35N5O5.C5H7NO3/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;7-4-2-1-3(6-4)5(8)9/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);3H,1-2H2,(H,6,7)(H,8,9)

smiles:
CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O.OC(=O)[C@@H]9CCC(=O)N9


name: 5-oxo-L-proline, compound with N-amidino-3,5-diamino-6-chloropyrazinecarboxamide (1:1)
cas: 93857-23-9
formula: C6H8ClN7O.C5H7NO3
inchikey: XALZSUYPAAMHNG-HVDRVSQOSA-N
norman_susdat_id: NS00091549
smiles: NC(=N)NC(=O)c1nc(Cl)c(N)nc1N.OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1/C6H8ClN7O.C5H7NO3/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;7-4-2-1-3(6-4)5(8)9/h(H4,8,9,13)(H4,10,11,14,15);3H,1-2H2,(H,6,7)(H,8,9)


name: Ethyltrimethylammonium 2-acetoxy-5-oxo-L-prolinate
cas: 93857-26-2
dtxsid: DTXSID70917459
formula: C7H9NO5
inchikey: JFKVDRKMPVJZNC-OGFXRTJISA-M
norman_susdat_id: NS00064703
pubchem_cid: NA
smiles: O=C(OC1(NC(=O)CC1)C(=O)[O-])C.CC[N+](C)(C)C
inchi:
InChI=1/C7H9NO5.C5H14N/c1-4(9)13-7(6(11)12)3-2-5(10)8-7;1-5-6(2,3)4/h2-3H2,1H3,(H,8,10)(H,11,12);5H2,1-4H3/q;+1/p-1


name: 5-oxo-L-proline, compound with quinolin-8-ol (1:1)
cas: 93857-28-4
formula: C9H7NO.C5H7NO3
inchikey: HESDYIXKBXBMAC-HVDRVSQOSA-N
norman_susdat_id: NS00091550
smiles: OC(=O)[C@@H]1CCC(=O)N1.Oc2cccc3cccnc23
inchi:
InChI=1/C9H7NO.C5H7NO3/c11-8-5-1-3-7-4-2-6-10-9(7)8;7-4-2-1-3(6-4)5(8)9/h1-6,11H;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 5,7-dibromoquinolin-8-ol (1:1)
cas: 93857-29-5
formula: C9H5Br2NO.C5H7NO3
inchikey: DRZJRTZZIKMYSU-HVDRVSQOSA-N
norman_susdat_id: NS00092289
smiles: OC(=O)[C@@H]1CCC(=O)N1.Oc2c(Br)cc(Br)c3cccnc23
inchi:
InChI=1/C9H5Br2NO.C5H7NO3/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;7-4-2-1-3(6-4)5(8)9/h1-4,13H;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 5-chloro-7-iodoquinolin-8-ol (1:1)
cas: 93857-31-9
formula: C9H5ClINO.C5H7NO3
inchikey: NXAYTNZACJQRQG-HVDRVSQOSA-N
norman_susdat_id: NS00091833
smiles: OC(=O)[C@@H]1CCC(=O)N1.Oc2c(I)cc(Cl)c3cccnc23
inchi:
InChI=1/C9H5ClINO.C5H7NO3/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;7-4-2-1-3(6-4)5(8)9/h1-4,13H;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with isonicotinohydrazide (1:1)
cas: 93857-32-0
formula: C6H7N3O.C5H7NO3
inchikey: QSHNIFQLLFQMGW-HVDRVSQOSA-N
norman_susdat_id: NS00092290
smiles: NNC(=O)c1ccncc1.OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1/C6H7N3O.C5H7NO3/c7-9-6(10)5-1-3-8-4-2-5;7-4-2-1-3(6-4)5(8)9/h1-4H,7H2,(H,9,10);3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with phthalazin-1(2H)-one hydrazone (1:1)
cas: 93857-33-1
formula: C8H8N4.C5H7NO3
inchikey: FRLDYAKUUCTTDB-HVDRVSQOSA-N
norman_susdat_id: NS00091551
smiles: OC(=O)[C@@H]1CCC(=O)N1.NN=C1N\N=C/c2ccccc12
inchi:
InChI=1/C8H8N4.C5H7NO3/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;7-4-2-1-3(6-4)5(8)9/h1-5H,9H2,(H,11,12);3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 2-methyl-3-(o-tolyl)quinazolin-4(3H)-one (1:1)
cas: 93857-34-2
formula: C16H14N2O.C5H7NO3
inchikey: BQVVMXDBXGGUJI-HVDRVSQOSA-N
norman_susdat_id: NS00092291
smiles: CC1=Nc2ccccc2C(=O)N1c3ccccc3C.OC(=O)[C@@H]4CCC(=O)N4
inchi:
InChI=1/C16H14N2O.C5H7NO3/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19;7-4-2-1-3(6-4)5(8)9/h3-10H,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 4-amino-2-methyl-1-naphthol (1:1)
cas: 93857-35-3
formula: C11H11NO.C5H7NO3
inchikey: GGLOONDWKGBEGT-HVDRVSQOSA-N
norman_susdat_id: NS00091857
smiles: Cc1cc(N)c2ccccc2c1O.OC(=O)[C@@H]3CCC(=O)N3
inchi:
InChI=1/C11H11NO.C5H7NO3/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;7-4-2-1-3(6-4)5(8)9/h2-6,13H,12H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)


name: Benzenesulphonic acid, compound with 2-anilinoethanol (1:1)
cas: 93857-36-4
formula: C8H11NO.C6H6O3S
inchikey: FJIRJJVJTINMQF-UHFFFAOYSA-N
norman_susdat_id: NS00092301
smiles: OCCNc1ccccc1.OS(=O)(=O)c2ccccc2
inchi:
InChI=1/C8H11NO.C6H6O3S/c10-7-6-9-8-4-2-1-3-5-8;7-10(8,9)6-4-2-1-3-5-6/h1-5,9-10H,6-7H2;1-5H,(H,7,8,9)


name: (Perfluoro-13-methyltetradecyl)ethyl dihydrogen phosphate
cas: 93857-42-2
chemspiderid: 17334012
dtxsid: DTXSID70881065
formula: C17H6F31O4P1
inchikey: JXRICVNTWCQEIT-UHFFFAOYSA-N
norman_susdat_id: NS00011034
pubchem_cid: 16205824
inchi:
InChI=1S/C17H6F31O4P/c18-3(19,1-2-52-53(49,50)51)5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)14(39,40)12(35,36)10(31,32)8(27,28)6(23,24)4(20,16(43,44)45)17(46,47)48/h1-2H2,(H2,49,50,51)

smiles:
C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CO[P](O)(O)=O


cas: 93857-43-3
formula: C19H6F35O4P.2H3N
inchikey: RNSUNZPZYYXRNY-UHFFFAOYSA-N
norman_susdat_id: NS00091579
name:
Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl phosphate

inchi:
InChI=1/C19H6F35O4P.2H3N/c20-3(21,1-2-58-59(55,56)57)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)16(45,46)14(41,42)12(37,38)10(33,34)8(29,30)6(25,26)4(22,18(49,50)51)19(52,53)54;;/h1-2H2,(H2,55,56,57);2*1H3

smiles:
[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


name: Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl phosphate
cas: 93857-44-4
formula: C10H6F17O4P.2H3N
inchikey: JORZSJZWIWDUEC-UHFFFAOYSA-N
norman_susdat_id: NS00091580
smiles: [NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C10H6F17O4P.2H3N/c11-3(12,1-2-31-32(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27;;/h1-2H2,(H2,28,29,30);2*1H3


name: Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl phosphate
cas: 93857-45-5
formula: C12H6F21O4P.2H3N
inchikey: FSJLLRNJLNPGBZ-UHFFFAOYSA-N
norman_susdat_id: NS00092315
inchi:
InChI=1/C12H6F21O4P.2H3N/c13-3(14,1-2-37-38(34,35)36)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33;;/h1-2H2,(H2,34,35,36);2*1H3

smiles:
[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


