# cl_id

name: 1,1,2-trimethyl-3-(4-sulphonatobutyl)-1H-benz[e]indolium
cas: 63149-24-6
dtxsid: DTXSID2069739
formula: C19H24NO3S
inchikey: GJCURKVOCXJAIV-UHFFFAOYSA-N
norman_susdat_id: NS00056191
pubchem_cid: 113092
smiles: O=S(=O)([O-])CCCC[N+]=1C=2C=CC=3C=CC=CC3C2C(C1C)(C)C
inchi:
InChI=1/C19H23NO3S/c1-14-19(2,3)18-16-9-5-4-8-15(16)10-11-17(18)20(14)12-6-7-13-24(21,22)23/h4-5,8-11H,6-7,12-13H2,1-3H3


cas: 63149-27-9
chemspiderid: 87264
dtxsid: DTXSID1069740
formula: C37H46N2O4
inchikey: IRSKGCDDLMCVBY-UHFFFAOYSA-N
norman_susdat_id: NS00035337
pubchem_cid: 113094
smiles: CCC(C)(C)c1ccc(OCCCCNC(=O)c2c(O)c3c(cccc3)c(Oc3ccc(N)cc3)c2)c(c1)C(C)(C)CC
name:
2-Naphthalenecarboxamide, 4-(4-aminophenoxy)-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-

inchi:
InChI=1S/C37H46N2O4/c1-7-36(3,4)25-15-20-32(31(23-25)37(5,6)8-2)42-22-12-11-21-39-35(41)30-24-33(43-27-18-16-26(38)17-19-27)28-13-9-10-14-29(28)34(30)40/h9-10,13-20,23-24,40H,7-8,11-12,21-22,38H2,1-6H3,(H,39,41)


name: 2-methyl-1-(methylphenylamino)-4,6-di(p-tolyl)pyridinium tetrafluoroborate
cas: 63149-30-4
dtxsid: DTXSID70886555
formula: C27H27N2
inchikey: VODSSAYJXXCWPJ-UHFFFAOYSA-N
norman_susdat_id: NS00056302
pubchem_cid: 113096
smiles: F[B-](F)(F)F.C=1C=CC(=CC1)N([N+]=2C(=CC(=CC2C)C3=CC=C(C=C3)C)C=4C=CC(=CC4)C)C
inchi:
InChI=1/C27H27N2.BF4/c1-20-10-14-23(15-11-20)25-18-22(3)29(28(4)26-8-6-5-7-9-26)27(19-25)24-16-12-21(2)13-17-24;2-1(3,4)5/h5-19H,1-4H3;/q+1;-1


name: Dinitrooctylphenol
cas: 63149-81-5
dtxsid: DTXSID20979128
formula: C14H22N2O5
inchikey: DAMBYUVLKXLFHA-UHFFFAOYSA-N
norman_susdat_id: NS00055775
pubchem_cid: 21149498
smiles: O=[N+]([O-])C(C=1C=CC=CC1O)([N+](=O)[O-])CCCCCCC
inchi:
InChI=1/C14H20N2O5/c1-2-3-4-5-8-11-14(15(18)19,16(20)21)12-9-6-7-10-13(12)17/h6-7,9-10,17H,2-5,8,11H2,1H3


name: Metrasil
cas: 6315-71-5
chemspiderid: 72570
formula: C13H12N2O5S1
inchikey: CDUAVAXMQCAYTC-UHFFFAOYSA-N
norman_susdat_id: NS00011888
pubchem_cid: 80335
smiles: c1cc(ccc1N)S(=O)(=O)Nc2ccc(c(c2)O)C(=O)O
inchi:
InChI=1S/C13H12N2O5S/c14-8-1-4-10(5-2-8)21(19,20)15-9-3-6-11(13(17)18)12(16)7-9/h1-7,15-16H,14H2,(H,17,18)


name: N-Stearoyl Taurine
cas: 63155-80-6
chebiid: CHEBI:132479
chemspiderid: 147194
dtxsid: DTXSID70276578
formula: C20H41N1O4S1
inchikey: LMIJIHJZVURGQK-UHFFFAOYSA-N
norman_susdat_id: NS00017071
pubchem_cid: 168274
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O
inchi:
InChI=1S/C20H41NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26(23,24)25/h2-19H2,1H3,(H,21,22)(H,23,24,25)


name: tris[4-(diethylamino)phenyl]methylium acetate
cas: 63157-72-2
chemspiderid: 21162018
formula: C31H43N3
inchikey: CBMNJIRTNNMVJC-UHFFFAOYSA-M
norman_susdat_id: NS00010613
pubchem_cid: 56841583
smiles: CCN(CC)c1ccc(cc1)[C+](c2ccc(cc2)N(CC)CC)c3ccc(cc3)N(CC)CC.CC(=O)[O-]
inchi:
InChI=1S/C31H42N3.C2H4O2/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;1-2(3)4/h13-24H,7-12H2,1-6H3;1H3,(H,3,4)/q+1;/p-1


name: Undecyl benzoate
cas: 6316-30-9
dtxsid: DTXSID60281712
formula: C18H28O2
inchikey: YEHGKFOTJWYCBN-UHFFFAOYSA-N
norman_susdat_id: NS00096101
smiles: CCCCCCCCCCCOC(=O)C1=CC=CC=C1
inchi:
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-13-16-20-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3


name: Pentanamide, N-(2-chloro-5-nitrophenyl)-4,4-dimethyl-3-oxo-
cas: 63163-96-2
chemspiderid: 86755
dtxsid: DTXSID0069751
formula: C13H15Cl1N2O4
inchikey: HJVPUVSOKRKPPC-UHFFFAOYSA-N
norman_susdat_id: NS00035347
pubchem_cid: 96110
smiles: CC(C)(C)C(=O)CC(=O)Nc1c(Cl)ccc(c1)[N+](=O)[O-]
inchi:
InChI=1S/C13H15ClN2O4/c1-13(2,3)11(17)7-12(18)15-10-6-8(16(19)20)4-5-9(10)14/h4-6H,7H2,1-3H3,(H,15,18)


name: Methyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate
cas: 63175-24-6
chemspiderid: 2299306
dtxsid: DTXSID5069758
formula: C30H25N3O6
inchikey: TWFWFZZEVCUZSW-UHFFFAOYSA-N
norman_susdat_id: NS00035351
pubchem_cid: 113111
smiles: COC(=O)/C(=C(C#N)/c1ccc(cc1)N(CCOC(=O)c1ccccc1)CCOC(=O)c1ccccc1)/C#N
inchi:
InChI=1S/C30H25N3O6/c1-37-30(36)27(21-32)26(20-31)22-12-14-25(15-13-22)33(16-18-38-28(34)23-8-4-2-5-9-23)17-19-39-29(35)24-10-6-3-7-11-24/h2-15H,16-19H2,1H3/b27-26+


name: 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulphonatobutyl)-1H-benzimidazolium
cas: 63175-96-2
formula: C14H20Cl2N2O3S
inchikey: CDINKGZEJDGMNH-UHFFFAOYSA-N
norman_susdat_id: NS00057104
pubchem_cid: NA
smiles: O=S(=O)([O-])C(C)CCN1C2=CC(Cl)=C(Cl)C=C2[NH+](CC)C1C
inchi:
InChI=1/C14H20Cl2N2O3S/c1-4-17-10(3)18(6-5-9(2)22(19,20)21)14-8-12(16)11(15)7-13(14)17/h7-10H,4-6H2,1-3H3,(H,19,20,21)


name: Sodium 2-(octylphenoxy)ethyl sulphate
cas: 63175-99-5
dtxsid: DTXSID90979155
formula: C16H26O5S
inchikey: FPFWMMGWQNAYFN-UHFFFAOYSA-M
norman_susdat_id: NS00055792
pubchem_cid: 6454540
smiles: [Na+].O=S(=O)([O-])OCCOC=1C=CC=CC1CCCCCCCC
inchi:
InChI=1/C16H26O5S.Na/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)20-13-14-21-22(17,18)19;/h8-9,11-12H,2-7,10,13-14H2,1H3,(H,17,18,19);/q;+1/p-1


name: 9,10-Anthracenediol, 9,10-dihydro-9,10-diphenyl-
cas: 6318-17-8
chemspiderid: 85697
dtxsid: DTXSID3064227
formula: C26H20O2
inchikey: RYFIDGIWTNANMO-UHFFFAOYSA-N
norman_susdat_id: NS00035353
pubchem_cid: 94976
smiles: O[C@@]1(c2ccccc2)c2ccccc2[C@](O)(c2ccccc2)c2c1cccc2
inchi:
InChI=1S/C26H20O2/c27-25(19-11-3-1-4-12-19)21-15-7-9-17-23(21)26(28,20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18,27-28H/t25-,26+


cas: 63180-06-3
dtxsid: DTXSID90886557
formula: C14H15F7O2
inchikey: KAYHPSDEMCKVKU-KBUNVGBDSA-N
norman_susdat_id: NS00112043
smiles: CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2=C(O)C(F)(F)C(F)(F)C(F)(F)F
name:
Bicyclo[2.2.1]heptan-2-one, 3-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutylidene)-1,7,7-trimethyl-, (1R,4S)-

inchi:
InChI=1S/C14H15F7O2/c1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21/h6,23H,4-5H2,1-3H3/t6-,11+/m1/s1


name: 2,2'-((9,10-Dihydro-4,8-dinitro-9,10-dioxo-1,5-anthracenediyl)diimino)bis(2-oxoacetic) acid
cas: 63182-19-4
chemspiderid: 21162020
dtxsid: DTXSID30212533
formula: C18H8N4O12
inchikey: VQOBYYOBOWEHDA-UHFFFAOYSA-N
norman_susdat_id: NS00035354
pubchem_cid: 56841891
smiles: OC(=O)C(=O)Nc1c2C(=O)c3c(ccc(NC(=O)C(=O)O)c3C(=O)c2c(cc1)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C18H8N4O12/c23-13-9-5(19-15(25)17(27)28)1-3-7(21(31)32)11(9)14(24)10-6(20-16(26)18(29)30)2-4-8(12(10)13)22(33)34/h1-4H,(H,19,25)(H,20,26)(H,27,28)(H,29,30)


name: 2,2'-((9,10-Dihydro-4,5-dinitro-9,10-dioxo-1,8-anthracenediyl)diimino)bis(2-oxoacetic) acid
cas: 63182-20-7
chemspiderid: 21162021
dtxsid: DTXSID90212534
formula: C18H8N4O12
inchikey: NRVYXLNULGMYPQ-UHFFFAOYSA-N
norman_susdat_id: NS00035355
pubchem_cid: 56841892
smiles: OC(=O)C(=O)Nc1c2C(=O)c3c(NC(=O)C(=O)O)ccc(c3C(=O)c2c(cc1)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C18H8N4O12/c23-13-9-5(19-15(25)17(27)28)1-3-7(21(31)32)11(9)14(24)12-8(22(33)34)4-2-6(10(12)13)20-16(26)18(29)30/h1-4H,(H,19,25)(H,20,26)(H,27,28)(H,29,30)


name: Sodium naphth[2,1-d][1,2,3]oxadiazole-6-sulphonate
cas: 63182-22-9
dtxsid: DTXSID9069760
formula: C10H6N2O4S
inchikey: QGZDLJPYEMOIOC-UHFFFAOYSA-M
norman_susdat_id: NS00056231
pubchem_cid: 113119
smiles: [Na+].O=S(=O)([O-])C1=CC=CC=2C=3ON=NC3C=CC21
inchi:
InChI=1/C10H6N2O4S.Na/c13-17(14,15)9-3-1-2-7-6(9)4-5-8-10(7)16-12-11-8;/h1-5H,(H,13,14,15);/q;+1/p-1


name: 1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one
cas: 63190-87-4
chemspiderid: NA
dtxsid: DTXSID80513143
formula: C15H18Cl1N3O1
inchikey: ZGWQNJHIJAMLCE-ZDUSSCGKSA-N
norman_susdat_id: NS00002062
pubchem_cid: NA
smiles: CC(C)(C)C(=O)[C@H](Cc1ccc(Cl)cc1)n1ccnn1
inchi:
InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-9-8-17-18-19)10-11-4-6-12(16)7-5-11/h4-9,13H,10H2,1-3H3/t13-/m0/s1


name: Disodium 6-amino-5-[[4-(benzoylamino)-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate
cas: 63192-51-8
dtxsid: DTXSID4069763
formula: C23H18N4O8S2
inchikey: XEWVXTPHSJWRNN-UHFFFAOYSA-L
norman_susdat_id: NS00056326
pubchem_cid: 113123
inchi:
InChI=1/C23H18N4O8S2.2Na/c24-17-8-6-14-10-16(36(30,31)32)12-19(28)21(14)22(17)27-26-18-9-7-15(11-20(18)37(33,34)35)25-23(29)13-4-2-1-3-5-13;;/h1-12,28H,24H2,(H,25,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-])C=4C=CC=CC4


name: 2-amino-6-benzoyl-1-[(isopropyl)sulphonyl]-1H-benzimidazole
cas: 63197-61-5
dtxsid: DTXSID80979205
formula: C17H17N3O3S
inchikey: SXUXQJLILGMLOR-UHFFFAOYSA-N
norman_susdat_id: NS00056233
pubchem_cid: 3017389
smiles: O=C(C=1C=CC=CC1)C=2C=CC=3N=C(N)N(C3C2)S(=O)(=O)C(C)C
inchi:
InChI=1/C17H17N3O3S/c1-11(2)24(22,23)20-15-10-13(8-9-14(15)19-17(20)18)16(21)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,18,19)


name: Bulbocapnine hydrochloride
cas: 632-47-3
formula: C19H19NO4.ClH
inchikey: SRGIVPUDHITDMK-YDALLXLXSA-N
norman_susdat_id: NS00079525
smiles: Cl.COc1ccc2C[C@@H]3N(C)CCc4cc5OCOc5c(c34)c2c1O
inchi:
InChI=1/C19H19NO4.ClH/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17;/h3-4,8,12,21H,5-7,9H2,1-2H3;1H


name: Benzene, 1,1',1'',1'''-(1,2-ethenediylidene)tetrakis-
cas: 632-51-9
chemspiderid: 62645
dtxsid: DTXSID1060895
formula: C26H20
inchikey: JLZUZNKTTIRERF-UHFFFAOYSA-N
norman_susdat_id: NS00035400
pubchem_cid: 69437
smiles: c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C26H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H


name: C.I.Acid Red 94
cas: 632-68-8
chemspiderid: 23773
dtxsid: DTXSID00110057
formula: C20H4Cl4I4O5
inchikey: VQHHOXOLUXRQFQ-UHFFFAOYSA-L
norman_susdat_id: NS00020325
pubchem_cid: 71553
smiles: [K+].[K+].[O-]c1c(I)c2c(cc1I)C1(OC(=O)c3c1c(Cl)c(Cl)c(Cl)c3Cl)c1c(O2)c(I)c([O-])c(I)c1
inchi:
InChI=1S/C20H4Cl4I4O5/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28/h1-2,29-30H


name: Disodium 3,4,5,6-tetrachloro-2-(2,4,5,7-tetraiodo-6-oxido-3-oxoxanthen-9-yl)benzoate
cas: 632-69-9
dtxsid: DTXSID4022814
formula: C20H4Cl4I4O5
inchikey: UWBXIFCTIZXXLS-UHFFFAOYSA-L
norman_susdat_id: NS00041949
pubchem_cid: 25474
smiles: [Na+].[Na+].O=C([O-])C=1C(Cl)=C(Cl)C(Cl)=C(Cl)C1C2=C3C=C(I)C(=O)C(I)=C3OC=4C(I)=C([O-])C(I)=CC42
inchi:
InChI=1/C20H4Cl4I4O5.2Na/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28;;/h1-2,29H,(H,31,32);;/q;2*+1/p-2


name: (4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride
cas: 632-99-5
dtxsid: DTXSID6021246
formula: C20H19N3
inchikey: NIKFYOSELWJIOF-UHFFFAOYSA-N
norman_susdat_id: NS00041599
pubchem_cid: 137701220
smiles: Cl.N=C1C=CC(C=C1)=C(C2=CC=C(N)C=C2)C3=CC=C(N)C(=C3)C
inchi:
InChI=1/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,21H,22-23H2,1H3;1H


cas: 6320-14-5
formula: C25H29N2.Cl
inchikey: QCGOYKXFFGQDFY-UHFFFAOYSA-M
norman_susdat_id: NS00080879
smiles: [Cl-].C[N+]=4c1ccccc1C(C)(C)C=4C=CC=C3N(C)c2ccccc2C3(C)C
name:
2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride

inchi:
InChI=1/C25H29N2.ClH/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;/h7-17H,1-6H3;1H/q+1;/p-1


cas: 63204-23-9
formula: C19H21N5O3S.2ClH
inchikey: RBNMEHBTDUJJJM-UHFFFAOYSA-N
norman_susdat_id: NS00088255
smiles: Cl.Cl.Cc1[nH]cnc1CSCCNC2=NC(=O)C(=CN2)Cc3ccc4OCOc4c3
name:
5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]-1H-pyrimidin-4-one dihydrochloride

inchi:
InChI=1/C19H21N5O3S.2ClH/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16;;/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25);2*1H


name: Benzenesulfonic acid, 5-[(4-amino-5-methoxy-2-methylphenyl)azo]-2-methoxy-
cas: 63216-83-1
chemspiderid: 101392
dtxsid: DTXSID4069765
formula: C15H17N3O5S1
inchikey: IEZSGDNUYFXTGX-UHFFFAOYSA-N
norman_susdat_id: NS00035370
pubchem_cid: 113125
smiles: COc1cc(N=Nc2cc(c(OC)cc2)S(=O)(=O)O)c(C)cc1N
inchi:
InChI=1S/C15H17N3O5S/c1-9-6-11(16)14(23-3)8-12(9)18-17-10-4-5-13(22-2)15(7-10)24(19,20)21/h4-8H,16H2,1-3H3,(H,19,20,21)


cas: 63216-84-2
dtxsid: DTXSID9069766
formula: C40H31N5O13S3
inchikey: RDPSJFKAXIQCFK-UHFFFAOYSA-N
norman_susdat_id: NS00057106
pubchem_cid: 106558
name:
3-hydroxy-4-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulpho-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C40H31N5O13S3/c1-57-33-18-22(8-14-31(33)42-44-37-29-13-11-28(59(48,49)50)17-25(29)21-36(40(37)47)61(54,55)56)23-9-15-32(34(19-23)58-2)43-45-38-35(60(51,52)53)20-24-16-27(10-12-30(24)39(38)46)41-26-6-4-3-5-7-26/h3-21,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56)

smiles:
O=S(=O)(O)C=1C=CC=2C(C1)=CC(=C(O)C2N=NC3=CC=C(C=C3OC)C4=CC=C(N=NC=5C(O)=C6C=CC(=CC6=CC5S(=O)(=O)O)NC=7C=CC=CC7)C(OC)=C4)S(=O)(=O)O


name: 2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-(4-amino-2-sulfophenyl)ethenyl]-3-sulfophenyl]-
cas: 63216-86-4
chemspiderid: 100945
dtxsid: DTXSID4069767
formula: C24H18N4O9S3
inchikey: XQKZTBOOQODQOQ-UHFFFAOYSA-N
norman_susdat_id: NS00035372
pubchem_cid: 112630
smiles: Nc1cc(c(/C=C/c2c(cc(cc2)n2nc3cc(c4c(cccc4)c3n2)S(=O)(=O)O)S(=O)(=O)O)cc1)S(=O)(=O)O
inchi:
InChI=1S/C24H18N4O9S3/c25-16-9-7-14(21(11-16)38(29,30)31)5-6-15-8-10-17(12-22(15)39(32,33)34)28-26-20-13-23(40(35,36)37)18-3-1-2-4-19(18)24(20)27-28/h1-13H,25H2,(H,29,30,31)(H,32,33,34)(H,35,36,37)/b6-5+


name: Acetic acid, 2,2'-[(9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)diimino]bis[2-oxo-
cas: 63216-87-5
chemspiderid: 101393
dtxsid: DTXSID9069768
formula: C18H10N2O8
inchikey: XJRBIGZLFUAVPW-UHFFFAOYSA-N
norman_susdat_id: NS00035373
pubchem_cid: 113126
smiles: OC(=O)C(=O)Nc1cccc2c1C(=O)c1c(cccc1NC(=O)C(=O)O)C2=O
inchi:
InChI=1S/C18H10N2O8/c21-13-7-3-1-5-9(19-15(23)17(25)26)11(7)14(22)12-8(13)4-2-6-10(12)20-16(24)18(27)28/h1-6H,(H,19,23)(H,20,24)(H,25,26)(H,27,28)


name: Benzenesulfonic acid, 2,2'-thiobis[5-nitro-
cas: 63216-88-6
chemspiderid: 101394
dtxsid: DTXSID4069769
formula: C12H8N2O10S3
inchikey: LVUFXZAHTLUDST-UHFFFAOYSA-N
norman_susdat_id: NS00035374
pubchem_cid: 113127
smiles: OS(=O)(=O)c1c(Sc2c(cc(cc2)[N+](=O)[O-])S(=O)(=O)O)ccc(c1)[N+](=O)[O-]
inchi:
InChI=1S/C12H8N2O10S3/c15-13(16)7-1-3-9(11(5-7)26(19,20)21)25-10-4-2-8(14(17)18)6-12(10)27(22,23)24/h1-6H,(H,19,20,21)(H,22,23,24)


name: 1H-Indene-1,3(2H)-dione, 2-benzo[f]quinolin-3-yl-
cas: 63216-89-7
chemspiderid: 85903
dtxsid: DTXSID3069770
formula: C22H13N1O2
inchikey: WPKTWXFYOAVLHB-UHFFFAOYSA-N
norman_susdat_id: NS00035375
pubchem_cid: 95199
smiles: O=C1C(C(=O)c2c1cccc2)c1nc2c(cc1)c1ccccc1cc2
inchi:
InChI=1S/C22H13NO2/c24-21-16-7-3-4-8-17(16)22(25)20(21)19-12-10-15-14-6-2-1-5-13(14)9-11-18(15)23-19/h1-12,20H


name: Phenol, 4-dodecyl-2-[(2-nitrophenyl)azo]-
cas: 63216-93-3
chemspiderid: 7851063
dtxsid: DTXSID8069773
formula: C24H33N3O3
inchikey: HBILSJNKFHVBOX-UHFFFAOYSA-N
norman_susdat_id: NS00035376
pubchem_cid: NA
smiles: CCCCCCCCCCCCC1=C/C(=NNc2ccccc2[N+](=O)[O-])/C(=O)C=C1
inchi:
InChI=1S/C24H33N3O3/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-24(28)22(19-20)26-25-21-15-12-13-16-23(21)27(29)30/h12-13,15-19,25H,2-11,14H2,1H3/b26-22+


name: 2-[(2-cyanoethyl)phenylamino]ethyl ethylcarbamate
cas: 63216-95-5
chemspiderid: 101397
dtxsid: DTXSID8069775
formula: C14H19N3O2
inchikey: RQMOPOXAUBOEEP-UHFFFAOYSA-N
norman_susdat_id: NS00035377
pubchem_cid: 113132
smiles: CCNC(=O)OCCN(CCC#N)c1ccccc1
inchi:
InChI=1S/C14H19N3O2/c1-2-16-14(18)19-12-11-17(10-6-9-15)13-7-4-3-5-8-13/h3-5,7-8H,2,6,10-12H2,1H3,(H,16,18)


name: 3,6,9,12-Tetraoxahexadecan-1-ol, 15-methyl-, dihydrogen phosphate
cas: 63217-09-4
chemspiderid: 101400
dtxsid: DTXSID7069780
formula: C13H29O8P1
inchikey: CXWZTSQXXIMONI-UHFFFAOYSA-N
norman_susdat_id: NS00022591
pubchem_cid: 113137
smiles: CC(C)CCOCCOCCOCCOCCOP(=O)(O)O
inchi:
InChI=1S/C13H29O8P/c1-13(2)3-4-17-5-6-18-7-8-19-9-10-20-11-12-21-22(14,15)16/h13H,3-12H2,1-2H3,(H2,14,15,16)


name: 3,6,9,12-Tetraoxahexadecan-1-ol, 15-methyl-, hydrogen phosphate
cas: 63217-10-7
chemspiderid: 101401
dtxsid: DTXSID2069781
formula: C26H55O12P1
inchikey: JCYSNWJUDYRPMA-UHFFFAOYSA-N
norman_susdat_id: NS00022592
pubchem_cid: 113138
smiles: CC(C)CCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCC(C)C
inchi:
InChI=1S/C26H55O12P/c1-25(2)5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-39(27,28)38-24-22-36-20-18-34-16-14-32-12-10-30-8-6-26(3)4/h25-26H,5-24H2,1-4H3,(H,27,28)


name: Ethanol, 2-[2-(4-dodecylphenoxy)ethoxy]-, dihydrogen phosphate
cas: 63217-11-8
chemspiderid: 101402
dtxsid: DTXSID7069782
formula: C22H39O6P1
inchikey: FYFRHNVOGWKKRC-UHFFFAOYSA-N
norman_susdat_id: NS00035379
pubchem_cid: 113139
smiles: CCCCCCCCCCCCc1ccc(OCCOCCOP(=O)(O)O)cc1
inchi:
InChI=1S/C22H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-15-22(16-14-21)27-19-17-26-18-20-28-29(23,24)25/h13-16H,2-12,17-20H2,1H3,(H2,23,24,25)


name: 3,6,9,12-Tetraoxaoctadecan-1-ol, dihydrogen phosphate
cas: 63217-12-9
chemspiderid: 101403
dtxsid: DTXSID2069783
formula: C14H31O8P1
inchikey: ZCJFTNUEUAISRV-UHFFFAOYSA-N
norman_susdat_id: NS00035380
pubchem_cid: 113140
smiles: CCCCCCOCCOCCOCCOCCOP(=O)(O)O
inchi:
InChI=1S/C14H31O8P/c1-2-3-4-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22-23(15,16)17/h2-14H2,1H3,(H2,15,16,17)


name: Sodium 1,4-bis(2,6-dimethylheptyl) sulphonatosuccinate
cas: 63217-13-0
dtxsid: DTXSID00893570
formula: C22H42O7S
inchikey: VKDIBUUSCYWJOQ-UHFFFAOYSA-M
norman_susdat_id: NS00057164
pubchem_cid: 112632
smiles: [Na+].O=C(OCC(C)CCCC(C)C)CC(C(=O)OCC(C)CCCC(C)C)S(=O)(=O)[O-]
inchi:
InChI=1/C22H42O7S.Na/c1-16(2)9-7-11-18(5)14-28-21(23)13-20(30(25,26)27)22(24)29-15-19(6)12-8-10-17(3)4;/h16-20H,7-15H2,1-6H3,(H,25,26,27);/q;+1/p-1


name: Sodium (Z,Z)-2-[methyl(1-oxo-9,12-octadecadienyl)amino]ethanesulphonate
cas: 63217-14-1
dtxsid: DTXSID7069784
formula: C21H39NO4S
inchikey: UPNGLMNZODHVJH-VRQRTIRHSA-M
norman_susdat_id: NS00056291
pubchem_cid: NA
smiles: [Na+].O=C(N(C)CCS(=O)(=O)[O-])CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C21H39NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h7-8,10-11H,3-6,9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1


name: Sodium 2-(cyclohexylstearoylamino)ethanesulphonate
cas: 63217-15-2
dtxsid: DTXSID2069785
formula: C26H51NO4S
inchikey: ABBTUPYMSSTNOH-UHFFFAOYSA-M
norman_susdat_id: NS00055841
pubchem_cid: 113144
smiles: [Na+].O=C(N(CCS(=O)(=O)[O-])C1CCCCC1)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H51NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)27(23-24-32(29,30)31)25-20-17-16-18-21-25;/h25H,2-24H2,1H3,(H,29,30,31);/q;+1/p-1


cas: 63217-24-3
dtxsid: DTXSID80886561
formula: C41H53ClN2O7
inchikey: VXCZXLZDXHEWHD-UHFFFAOYSA-N
norman_susdat_id: NS00056292
pubchem_cid: 112633
smiles: O=C(OC)C1=CC=C(OC(C(=O)NC2=CC(=CC=C2Cl)NC(=O)CCCOC3=CC=C(C=C3C(C)(C)CC)C(C)(C)CC)C(=O)C(C)(C)C)C=C1
name:
Methyl 4-[1-[[[5-[[4-[2,4-bis(tert-pentyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoate

inchi:
InChI=1/C41H53ClN2O7/c1-11-40(6,7)27-17-22-33(30(24-27)41(8,9)12-2)50-23-13-14-34(45)43-28-18-21-31(42)32(25-28)44-37(47)35(36(46)39(3,4)5)51-29-19-15-26(16-20-29)38(48)49-10/h15-22,24-25,35H,11-14,23H2,1-10H3,(H,43,45)(H,44,47)


name: 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene
cas: 63217-25-4
chemspiderid: 101408
dtxsid: DTXSID2069787
formula: C20H33Cl1O1
inchikey: WQXDZIXHDZKOGO-UHFFFAOYSA-N
norman_susdat_id: NS00035381
pubchem_cid: 113147
smiles: CCC(C)(C)c1cc(c(OCCCCCl)cc1)C(C)(C)CC
inchi:
InChI=1S/C20H33ClO/c1-7-19(3,4)16-11-12-18(22-14-10-9-13-21)17(15-16)20(5,6)8-2/h11-12,15H,7-10,13-14H2,1-6H3


name: Benzenesulfonamide, 4-amino-N-(4-methylphenyl)-N-(3-phenylpropyl)-
cas: 63217-26-5
chemspiderid: 101409
dtxsid: DTXSID7069788
formula: C22H24N2O2S1
inchikey: UVRKWARRCHCTCV-UHFFFAOYSA-N
norman_susdat_id: NS00035382
pubchem_cid: 113148
smiles: Cc1ccc(cc1)N(CCCc1ccccc1)S(=O)(=O)c1ccc(N)cc1
inchi:
InChI=1S/C22H24N2O2S/c1-18-9-13-21(14-10-18)24(17-5-8-19-6-3-2-4-7-19)27(25,26)22-15-11-20(23)12-16-22/h2-4,6-7,9-16H,5,8,17,23H2,1H3


cas: 63217-28-7
formula: C49H54N4O12S2
inchikey: NZCVUOKHPIGKMF-UHFFFAOYSA-N
norman_susdat_id: NS00057165
pubchem_cid: NA
name:
5-(acetylamino)-3-[[4-[[3-[[[4-[2,4-bis(tert-pentyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthyl]oxy]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid

inchi:
InChI=1/C49H54N4O12S2/c1-8-48(4,5)31-16-21-40(38(26-31)49(6,7)9-2)64-23-13-12-22-50-47(57)37-28-41(35-14-10-11-15-36(35)45(37)55)65-33-19-17-32(18-20-33)52-53-44-42(67(61,62)63)25-30-24-34(66(58,59)60)27-39(51-29(3)54)43(30)46(44)56/h10-11,14-21,24-28,55-56H,8-9,12-13,22-23H2,1-7H3,(H,50,57)(H,51,54)(H,58,59,60)(H,61,62,63)

smiles:
O=C(NCCCCOC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)C=2C=C(OC3=CC=C(N=NC4=C(O)C5=C(C=C(C=C5NC(=O)C)S(=O)(=O)O)C=C4S(=O)(=O)O)C=C3)C=6C=CC=CC6C2O


name: 4-(diethylamino)-2-ethoxybenzenediazonium hexafluoroarsenate
cas: 63217-33-4
formula: C12H18N3O.AsF6
inchikey: OVPFHCCCMUDSMX-UHFFFAOYSA-N
norman_susdat_id: NS00088312
smiles: CCOc1cc(ccc1[N+]#N)N(CC)CC.F[As-](F)(F)(F)(F)F
inchi:
InChI=1/C12H18N3O.AsF6/c1-4-15(5-2)10-7-8-11(14-13)12(9-10)16-6-3;2-1(3,4,5,6)7/h7-9H,4-6H2,1-3H3;/q+1;-1


name: 1H-Benzimidazole-5-sulfonic acid, 2-(4-aminophenyl)-1-octadecyl-
cas: 63217-35-6
chemspiderid: 101413
dtxsid: DTXSID6069793
formula: C31H47N3O3S1
inchikey: JHHVDPLPBJASDF-UHFFFAOYSA-N
norman_susdat_id: NS00035383
pubchem_cid: 113154
smiles: CCCCCCCCCCCCCCCCCCn1c2c(cc(cc2)S(=O)(=O)O)nc1c1ccc(N)cc1
inchi:
InChI=1S/C31H47N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-34-30-23-22-28(38(35,36)37)25-29(30)33-31(34)26-18-20-27(32)21-19-26/h18-23,25H,2-17,24,32H2,1H3,(H,35,36,37)


name: 2-Naphthalenesulfonamide, 6,7-bis[(phenylsulfonyl)oxy]-
cas: 63217-38-9
chemspiderid: 101415
dtxsid: DTXSID6069795
formula: C22H17N1O8S3
inchikey: KVZQMLGVEQKEHF-UHFFFAOYSA-N
norman_susdat_id: NS00035384
pubchem_cid: 113156
smiles: NS(=O)(=O)c1ccc2cc(OS(=O)(=O)c3ccccc3)c(OS(=O)(=O)c3ccccc3)cc2c1
inchi:
InChI=1S/C22H17NO8S3/c23-32(24,25)20-12-11-16-14-21(30-33(26,27)18-7-3-1-4-8-18)22(15-17(16)13-20)31-34(28,29)19-9-5-2-6-10-19/h1-15H,(H2,23,24,25)


name: 2-Naphthalenesulfonyl chloride, 6,7-bis[(phenylsulfonyl)oxy]-
cas: 63217-39-0
chemspiderid: 101416
dtxsid: DTXSID1069796
formula: C22H15Cl1O8S3
inchikey: LPVTZQLZNSDOAF-UHFFFAOYSA-N
norman_susdat_id: NS00035385
pubchem_cid: 113157
smiles: ClS(=O)(=O)c1ccc2cc(OS(=O)(=O)c3ccccc3)c(OS(=O)(=O)c3ccccc3)cc2c1
inchi:
InChI=1S/C22H15ClO8S3/c23-32(24,25)20-12-11-16-14-21(30-33(26,27)18-7-3-1-4-8-18)22(15-17(16)13-20)31-34(28,29)19-9-5-2-6-10-19/h1-15H


cas: 63217-46-9
formula: C34H37Cl3N4O4.ClH
inchikey: WEJHFWWVWMMSQI-UHFFFAOYSA-N
norman_susdat_id: NS00088313
smiles: Cl.CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(c2)C(=O)NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl)c(c1)C(C)(C)CC
name:
3-[[[2,4-bis(tert-pentyl)phenoxy]acetyl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide monohydrochloride

inchi:
InChI=1/C34H37Cl3N4O4.ClH/c1-7-33(3,4)21-12-13-27(24(15-21)34(5,6)8-2)45-19-29(42)38-23-11-9-10-20(14-23)32(44)39-28-18-30(43)41(40-28)31-25(36)16-22(35)17-26(31)37;/h9-17H,7-8,18-19H2,1-6H3,(H,38,42)(H,39,40,44);1H


name: 4-[(2,6-dichloro-4-nitrophenyl)azo]-2,5-dimethoxybenzenediazonium tetrachlorozincate (2:1)
cas: 63224-47-5
formula: C14H10Cl2N5O4.1/2Cl4Zn
inchikey: ZZIMMRVDVBVWKL-UHFFFAOYSA-J
norman_susdat_id: NS00088280
inchi:
InChI=1/2C14H10Cl2N5O4.4ClH.Zn/c2*1-24-12-6-11(13(25-2)5-10(12)18-17)19-20-14-8(15)3-7(21(22)23)4-9(14)16;;;;;/h2*3-6H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H10Cl2N5O4.Cl4Zn/c2*1-24-12-6-11(13(25-2)5-10(12)18-17)19-20-14-8(15)3-7(21(22)23)4-9(14)16;1-5(2,3)4/h2*3-6H,1-2H3;/q2*+1;-2

smiles:
Clc2cc(cc(Cl)c2N=Nc1cc(OC)c([N+]#N)cc1OC)[N+]([O-])=O.Cl[Zn-2](Cl)(Cl)Cl.[O-][N+](=O)c2cc(Cl)c(N=Nc1cc(OC)c([N+]#N)cc1OC)c(Cl)c2


name: N-[2-(hexadecyloxy)-5-[(methylamino)sulphonyl]phenyl]-4,4-dimethyl-3-oxovaleramide
cas: 63224-80-6
dtxsid: DTXSID50979252
formula: C30H52N2O5S
inchikey: CCXDKYUOXACLTK-UHFFFAOYSA-N
norman_susdat_id: NS00056403
pubchem_cid: 3017391
smiles: O=C(NC1=CC(=CC=C1OCCCCCCCCCCCCCCCC)S(=O)(=O)NC)CC(=O)C(C)(C)C
inchi:
InChI=1/C30H52N2O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-37-27-21-20-25(38(35,36)31-5)23-26(27)32-29(34)24-28(33)30(2,3)4/h20-21,23,31H,6-19,22,24H2,1-5H3,(H,32,34)


name: Bis(pentacosafluorododecyl)phosphinic acid
cas: 63225-54-7
chemspiderid: NA
dtxsid: DTXSID90881305
formula: C24H1F50O2P1
inchikey: GSPDBXPMTTYLFV-UHFFFAOYSA-N
norman_susdat_id: NS00019167
pubchem_cid: NA
inchi:
InChI=1S/C24HF50O2P/c25-1(26,5(33,34)9(41,42)13(49,50)17(57,58)21(65,66)67)3(29,30)7(37,38)11(45,46)15(53,54)19(61,62)23(71,72)77(75,76)24(73,74)20(63,64)16(55,56)12(47,48)8(39,40)4(31,32)2(27,28)6(35,36)10(43,44)14(51,52)18(59,60)22(68,69)70/h(H,75,76)

smiles:
OP(=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)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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 1H,1H,2H,2H-Perfluorooctanol sulfate ammonium salt
cas: 63225-56-9
dtxsid: DTXSID00897553
formula: C8H8F13NO4S
inchikey: KNDITIWLOWMIIQ-UHFFFAOYSA-N
norman_susdat_id: NS00109105
smiles: [NH4+].[O-]S(=O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H5F13O4S.H3N/c9-3(10,1-2-25-26(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;/h1-2H2,(H,22,23,24);1H3


name: 1H,1H,2H,2H-Perfluorodecanol sulfate ammonium salt
cas: 63225-57-0
dtxsid: DTXSID40897552
formula: C10H8F17NO4S
inchikey: AUMNZKQKJQNCMK-UHFFFAOYSA-N
norman_susdat_id: NS00110500
smiles: [NH4+].[O-]S(=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=1S/C10H5F17O4S.H3N/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,(H,28,29,30);1H3


name: 1H,1H,2H,2H-Perfluorododecanol sulfate ammonium salt
cas: 63225-58-1
dtxsid: DTXSID80897551
formula: C12H8F21NO4S
inchikey: KEZSZPYKJJAJLN-UHFFFAOYSA-N
norman_susdat_id: NS00111870
smiles: [NH4+].[O-]S(=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
inchi:
InChI=1S/C12H5F21O4S.H3N/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,(H,34,35,36);1H3


name: 1H,1H,2H,2H-Perfluorotetradecanol sulfate ammonium salt
cas: 63225-59-2
dtxsid: DTXSID20897550
formula: C14H8F25NO4S
inchikey: DSZVJBLTLPXMKN-UHFFFAOYSA-N
norman_susdat_id: NS00109819
inchi:
InChI=1S/C14H5F25O4S.H3N/c15-3(16,1-2-43-44(40,41)42)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39;/h1-2H2,(H,40,41,42);1H3

smiles:
[NH4+].[O-]S(=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)F


name: PVP/HEXADECENE COPO- LYMER
cas: 63231-81-2
chemspiderid: 4956866
formula: C22H41N1O1
inchikey: PPZUPINAIZJKRN-UHFFFAOYSA-N
norman_susdat_id: NS00014023
pubchem_cid: 6454555
smiles: CCCCCCCCCCCCCCCC(C=C)N1CCCC1=O
inchi:
InChI=1S/C22H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(4-2)23-20-17-19-22(23)24/h4,21H,2-3,5-20H2,1H3


name: Cyclopropavir
cas: 632325-71-4
dtxsid: DTXSID10212612
formula: C11H13N5O3
inchikey: KMUNHOKTIVSFRA-KXFIGUGUSA-N
norman_susdat_id: NS00071804
smiles: Nc1nc2c(ncn2/C=C2/CC2(CO)CO)c(=O)[nH]1
inchi:
InChI=1S/C11H13N5O3/c12-10-14-8-7(9(19)15-10)13-5-16(8)2-6-1-11(6,3-17)4-18/h2,5,17-18H,1,3-4H2,(H3,12,14,15,19)/b6-2-


name: Benzoylhypaconine
cas: 63238-66-4
chebiid: CHEBI:132634
chemspiderid: 123132012
formula: C31H43NO9
inchikey: MDFCJNFOINXVSU-SQZQQIIISA-N
norman_susdat_id: NS00094339
pubchem_cid: 57576620
smiles:
CN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)O)OC)OC)COC


name: Benzoylmesaconine
cas: 63238-67-5
chebiid: CHEBI:132630
chemspiderid: 24832659
formula: C31H43NO10
inchikey: PULWZCUZNRVAHT-IJNXHYLPSA-N
norman_susdat_id: NS00094336
pubchem_cid: 24608536
smiles:
CN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC


name: Hypaconine
cas: 63238-68-6
chebiid: CHEBI:132644
chemspiderid: 123132014
formula: C24H39NO8
inchikey: BQTYHFZQSAKNQU-WIGGLDDKSA-N
norman_susdat_id: NS00094338
pubchem_cid: 58827432
smiles:
CN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6O)([C@H]([C@@H]5O)OC)O)O)OC)OC)COC


name: Etifenin
cas: 63245-28-3
chebiid: CHEBI:93120
chemspiderid: 148943
dtxsid: DTXSID2045492
formula: C16H22N2O5
inchikey: WNIDXAKKFOKNEF-UHFFFAOYSA-N
norman_susdat_id: NS00035395
pubchem_cid: 170344
smiles: CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O
inchi:
InChI=1S/C16H22N2O5/c1-3-11-6-5-7-12(4-2)16(11)17-13(19)8-18(9-14(20)21)10-15(22)23/h5-7H,3-4,8-10H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)


name: piprozoline
cas: 63250-48-6
chemspiderid: 4744588
formula: C14H22N2O3S1
inchikey: UAXYBJSAPFTPNB-KHPPLWFESA-N
norman_susdat_id: NS00006062
pubchem_cid: 5911905
smiles: CCOC(=O)C=C1/SC(N2CCCCC2)C(=O)N1CC
inchi:
InChI=1S/C14H22N2O3S/c1-3-16-11(10-12(17)19-4-2)20-14(13(16)18)15-8-6-5-7-9-15/h10,14H,3-9H2,1-2H3/b11-10-


cas: 63251-39-8
dtxsid: DTXSID50979297
formula: C20H27NO4S
inchikey: KJSMCQZGOIBBGM-UHFFFAOYSA-N
norman_susdat_id: NS00056294
pubchem_cid: 44439
smiles: Cl.O=S(C1=CC(=CC=C1O)C(O)CNC(C)CCC2=CC=C(OC)C=C2)C
name:
4-hydroxy-a-[[[3-(4-methoxyphenyl)-1-methylpropyl]amino]methyl]-3-(methylsulphinyl)benzyl alcohol hydrochloride

inchi:
InChI=1/C20H27NO4S.ClH/c1-14(4-5-15-6-9-17(25-2)10-7-15)21-13-19(23)16-8-11-18(22)20(12-16)26(3)24;/h6-12,14,19,21-23H,4-5,13H2,1-3H3;1H


name: 2H-Naphtho[1,2-d]triazole-6,8-disulfonic acid, 2-(4-aminophenyl)-
cas: 63251-40-1
chemspiderid: 101422
dtxsid: DTXSID3069803
formula: C16H12N4O6S2
inchikey: YEQGESKQWPUAHN-UHFFFAOYSA-N
norman_susdat_id: NS00035398
pubchem_cid: 113163
smiles: Nc1ccc(cc1)n1nc2ccc3c(cc(cc3S(=O)(=O)O)S(=O)(=O)O)c2n1
inchi:
InChI=1S/C16H12N4O6S2/c17-9-1-3-10(4-2-9)20-18-14-6-5-12-13(16(14)19-20)7-11(27(21,22)23)8-15(12)28(24,25)26/h1-8H,17H2,(H,21,22,23)(H,24,25,26)


name: Benzenesulfonic acid, 3-[[4-[(2-hydroxy-5-methylphenyl)azo]-1-naphthalenyl]azo]-
cas: 63251-41-2
chemspiderid: 7850753
dtxsid: DTXSID8069804
formula: C23H18N4O4S1
inchikey: YZPDBHYMZMUJHD-UHFFFAOYSA-N
norman_susdat_id: NS00035399
pubchem_cid: NA
smiles: CC1=C/C(=NNc2ccc(N=Nc3cc(ccc3)S(=O)(=O)O)c3ccccc23)/C(=O)C=C1
inchi:
InChI=1S/C23H18N4O4S/c1-15-9-12-23(28)22(13-15)27-26-21-11-10-20(18-7-2-3-8-19(18)21)25-24-16-5-4-6-17(14-16)32(29,30)31/h2-14,26H,1H3,(H,29,30,31)/b25-24+,27-22+


name: Sodium 6,7-bis[(phenylsulphonyl)oxy]naphthalene-2-sulphonate
cas: 63251-43-4
dtxsid: DTXSID40886562
formula: C22H16O9S3
inchikey: VPSUVNLFHSOZSG-UHFFFAOYSA-M
norman_susdat_id: NS00056295
pubchem_cid: 113165
smiles: [Na+].O=S(=O)([O-])C1=CC=C2C=C(OS(=O)(=O)C=3C=CC=CC3)C(OS(=O)(=O)C=4C=CC=CC4)=CC2=C1
inchi:
InChI=1/C22H16O9S3.Na/c23-32(24,25)20-12-11-16-14-21(30-33(26,27)18-7-3-1-4-8-18)22(15-17(16)13-20)31-34(28,29)19-9-5-2-6-10-19;/h1-15H,(H,23,24,25);/q;+1/p-1


name: 2-(p-acetoxy-m-isobutylphenoxy)myristic acid
cas: 63251-44-5
dtxsid: DTXSID00886563
formula: C26H42O5
inchikey: LMGNFMQANDKMEB-UHFFFAOYSA-N
norman_susdat_id: NS00056404
pubchem_cid: 21119015
smiles: O=C(OC1=CC=C(OC(C(=O)O)CCCCCCCCCCCC)C=C1CC(C)C)C
inchi:
InChI=1/C26H42O5/c1-5-6-7-8-9-10-11-12-13-14-15-25(26(28)29)31-23-16-17-24(30-21(4)27)22(19-23)18-20(2)3/h16-17,19-20,25H,5-15,18H2,1-4H3,(H,28,29)


name: Ethyl 4-[(4-chlorophenyl)(phenylacetyl)amino]piperidine-1-carboxylate
cas: 63258-47-9
dtxsid: DTXSID60979304
formula: C22H25ClN2O3
inchikey: IEWGVRLUCGRTRP-UHFFFAOYSA-N
norman_susdat_id: NS00056311
pubchem_cid: 3017393
smiles: O=C(OCC)N1CCC(N(C2=CC=C(Cl)C=C2)C(=O)CC=3C=CC=CC3)CC1
inchi:
InChI=1/C22H25ClN2O3/c1-2-28-22(27)24-14-12-20(13-15-24)25(19-10-8-18(23)9-11-19)21(26)16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3


name: Ethyl 1-benzyl-4-(phenylamino)piperidine-4-carboxylate
cas: 63260-82-2
dtxsid: DTXSID50979318
formula: C21H26N2O2
inchikey: CPDREELMVQAIKC-UHFFFAOYSA-N
norman_susdat_id: NS00056312
pubchem_cid: 3017395
smiles: O=C(OCC)C1(NC=2C=CC=CC2)CCN(CC=3C=CC=CC3)CC1
inchi:
InChI=1/C21H26N2O2/c1-2-25-20(24)21(22-19-11-7-4-8-12-19)13-15-23(16-14-21)17-18-9-5-3-6-10-18/h3-12,22H,2,13-17H2,1H3


name: 6-(dimethylamino)-4,4-diphenylhexan-3-ol
cas: 6327-73-7
chemspiderid: 366216
dtxsid: DTXSID50328746
formula: C20H27N1O1
inchikey: WKQWJEXZFBJISX-UHFFFAOYSA-N
norman_susdat_id: NS00004300
pubchem_cid: 413621
smiles: CCC(O)C(CCN(C)C)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H27NO/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19,22H,4,15-16H2,1-3H3


name: Disodium 3-hydroxy-2-(2-hydroxy-4-methoxysulphonatobenzoyl)-5-methoxybenzenesulphonate
cas: 63270-28-0
dtxsid: DTXSID50889807
formula: C15H14O11S2
inchikey: XFYMGUJRWNLSBR-UHFFFAOYSA-L
norman_susdat_id: NS00056341
pubchem_cid: 138395856
smiles: [Na+].[Na+].O=C(C1=CC=C(OC)C(=C1O)S(=O)(=O)[O-])C=2C(O)=CC(OC)=CC2S(=O)(=O)[O-]
inchi:
InChI=1/C15H14O11S2.2Na/c1-25-7-5-9(16)12(11(6-7)27(19,20)21)13(17)8-3-4-10(26-2)15(14(8)18)28(22,23)24;;/h3-6,16,18H,1-2H3,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2


cas: 63281-03-8
chemspiderid: 151777
dtxsid: DTXSID3069807
formula: C41H43Cl1N8O4
inchikey: SWIMBWSTYURRNJ-UHFFFAOYSA-N
norman_susdat_id: NS00035407
pubchem_cid: 173911
smiles: Cc1c(C#N)c(NCCCOCCOc2ccccc2)nc(NCCCOCCOc2ccccc2)c1N=Nc1ccc(cc1Cl)N=Nc1ccccc1
name:
3-Pyridinecarbonitrile, 5-[[2-chloro-4-(phenylazo)phenyl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]-

inchi:
InChI=1S/C41H43ClN8O4/c1-31-36(30-43)40(44-21-11-23-51-25-27-53-34-15-7-3-8-16-34)46-41(45-22-12-24-52-26-28-54-35-17-9-4-10-18-35)39(31)50-49-38-20-19-33(29-37(38)42)48-47-32-13-5-2-6-14-32/h2-10,13-20,29H,11-12,21-28H2,1H3,(H2,44,45,46)/b48-47+,50-49+


cas: 63281-04-9
formula: C44H45N7O6
inchikey: JLOYQEBEVYFOLX-UHFFFAOYSA-N
norman_susdat_id: NS00056444
pubchem_cid: 3017397
name:
5-[[2,3-dihydro-1,3-dioxo-2-(p-tolyl)-1H-isoindol-4-yl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile

inchi:
InChI=1/C44H45N7O6/c1-31-18-20-33(21-19-31)51-43(52)36-16-9-17-38(39(36)44(51)53)49-50-40-32(2)37(30-45)41(46-22-10-24-54-26-28-56-34-12-5-3-6-13-34)48-42(40)47-23-11-25-55-27-29-57-35-14-7-4-8-15-35/h3-9,12-21H,10-11,22-29H2,1-2H3,(H2,46,47,48)

smiles:
N#CC1=C(N=C(NCCCOCCOC=2C=CC=CC2)C(N=NC3=CC=CC=4C(=O)N(C(=O)C34)C5=CC=C(C=C5)C)=C1C)NCCCOCCOC=6C=CC=CC6


cas: 63281-05-0
chemspiderid: 151778
dtxsid: DTXSID8069808
formula: C41H44N8O4
inchikey: PMWAPTJFFJZQJG-UHFFFAOYSA-N
norman_susdat_id: NS00035408
pubchem_cid: 173912
smiles: Cc1c(C#N)c(NCCCOCCOc2ccccc2)nc(NCCCOCCOc2ccccc2)c1N=Nc1ccc(cc1)N=Nc1ccccc1
name:
3-Pyridinecarbonitrile, 4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]-5-[[4-(phenylazo)phenyl]azo]-

inchi:
InChI=1S/C41H44N8O4/c1-32-38(31-42)40(43-23-11-25-50-27-29-52-36-15-7-3-8-16-36)45-41(44-24-12-26-51-28-30-53-37-17-9-4-10-18-37)39(32)49-48-35-21-19-34(20-22-35)47-46-33-13-5-2-6-14-33/h2-10,13-22H,11-12,23-30H2,1H3,(H2,43,44,45)/b47-46+,49-48+


cas: 63281-10-7
chemspiderid: 101429
dtxsid: DTXSID3069809
formula: C36H41Cl1N6O6S1
inchikey: KHCSUKFEUGAVRT-UHFFFAOYSA-N
norman_susdat_id: NS00035409
pubchem_cid: 113170
smiles: Cc1c(C#N)c(NCCCOCCOc2ccccc2)nc(NCCCOCCOc2ccccc2)c1N=Nc1c(Cl)cc(cc1)S(=O)(=O)C
name:
3-Pyridinecarbonitrile, 5-[[2-chloro-4-(methylsulfonyl)phenyl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]-

inchi:
InChI=1S/C36H41ClN6O6S/c1-27-31(26-38)35(39-17-9-19-46-21-23-48-28-11-5-3-6-12-28)41-36(40-18-10-20-47-22-24-49-29-13-7-4-8-14-29)34(27)43-42-33-16-15-30(25-32(33)37)50(2,44)45/h3-8,11-16,25H,9-10,17-24H2,1-2H3,(H2,39,40,41)/b43-42+


name: Citalopram N-oxide
cas: 63284-72-0
chebiid: CHEBI:80602
chemspiderid: 8243682
dtxsid: DTXSID50435141
formula: C20H21F1N2O2
inchikey: DIOGFDCEWUUSBQ-UHFFFAOYSA-N
norman_susdat_id: NS00014627
pubchem_cid: 10068142
smiles: N#Cc1ccc2c(c1)COC2(CCC[N+](C)(C)[O-])c1ccc(cc1)F
inchi:
InChI=1S/C20H21FN2O2/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20/h4-9,12H,3,10-11,14H2,1-2H3


cas: 63295-18-1
formula: C12H8F19O5P.2H3N
inchikey: ONTZPZSNBFJLNO-UHFFFAOYSA-N
norman_susdat_id: NS00088765
name:
Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl phosphate

inchi:
InChI=1/C12H8F19O5P.2H3N/c13-4(14,1-3(32)2-36-37(33,34)35)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31;;/h3,32H,1-2H2,(H2,33,34,35);2*1H3

smiles:
[NH4+].[NH4+].OC(COP(=O)([O-])[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


name: Bis[(perfluoro-7-methyloctyl)-2-hydroxypropyl] hydrogen phosphate
cas: 63295-20-5
chemspiderid: NA
dtxsid: DTXSID70881368
formula: C24H13F38O6P1
inchikey: WAMJRQKSJMEKEM-UHFFFAOYNA-N
norman_susdat_id: NS00019168
pubchem_cid: NA
inchi:
InChI=1S/C24H13F38O6P/c25-7(26,11(31,32)15(39,40)19(47,48)17(43,44)13(35,36)9(29,21(51,52)53)22(54,55)56)1-5(63)3-67-69(65,66)68-4-6(64)2-8(27,28)12(33,34)16(41,42)20(49,50)18(45,46)14(37,38)10(30,23(57,58)59)24(60,61)62/h5-6,63-64H,1-4H2,(H,65,66)

smiles:
OC(COP(O)(=O)OCC(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)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


name: 3-(Perfluoro(9-methyldecyl))-2-hydroxypropyl dihydrogen phosphate
cas: 63295-27-2
chemspiderid: 4956881
dtxsid: DTXSID20880528
formula: C14H8F23O5P1
inchikey: KUDKLDDNJRWOJT-UHFFFAOYSA-N
norman_susdat_id: NS00010927
pubchem_cid: 6454570
smiles: C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(CO[P](=O)(O)O)O
inchi:
InChI=1S/C14H8F23O5P/c15-4(16,1-3(38)2-42-43(39,40)41)6(18,19)8(22,23)10(26,27)12(30,31)11(28,29)9(24,25)7(20,21)5(17,13(32,33)34)14(35,36)37/h3,38H,1-2H2,(H2,39,40,41)


name: 3-(Perfluoro(11-methyldodecyl))-2-hydroxypropyl dihydrogen phosphate
cas: 63295-28-3
chemspiderid: 4956882
dtxsid: DTXSID80880529
formula: C16H8F27O5P1
inchikey: NZFUNOLSROCOSD-UHFFFAOYSA-N
norman_susdat_id: NS00010929
pubchem_cid: 6454571
inchi:
InChI=1S/C16H8F27O5P/c17-4(18,1-3(44)2-48-49(45,46)47)6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)13(34,35)11(30,31)9(26,27)7(22,23)5(19,15(38,39)40)16(41,42)43/h3,44H,1-2H2,(H2,45,46,47)

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


name: 3-(Perfluoro(13-methyltetradecyl))-2-hydroxypropyl dihydrogen phosphate
cas: 63295-29-4
chemspiderid: 4956883
dtxsid: DTXSID50880531
formula: C18H8F31O5P1
inchikey: PPWMMKOULSCBKB-UHFFFAOYSA-N
norman_susdat_id: NS00010931
pubchem_cid: 6454572
inchi:
InChI=1S/C18H8F31O5P/c19-4(20,1-3(50)2-54-55(51,52)53)6(22,23)8(26,27)10(30,31)12(34,35)14(38,39)16(42,43)15(40,41)13(36,37)11(32,33)9(28,29)7(24,25)5(21,17(44,45)46)18(47,48)49/h3,50H,1-2H2,(H2,51,52,53)

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


name: Brilliant Green
cas: 633-03-4
chemspiderid: 9924221
dtxsid: DTXSID1048700
formula: C27H34N2
inchikey: XTGXRPCJUPPBMM-UHFFFAOYSA-N
norman_susdat_id: NS00013382
pubchem_cid: 11749517
smiles: CCN(CC)c1ccc(cc1)[C+](c2ccccc2)c3ccc(cc3)N(CC)CC.O[S]([O-])(=O)=O
inchi:
InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1


name: Cholest-5-en-3ß-yl propionate
cas: 633-31-8
formula: C30H50O2
inchikey: CCORPVHYPHHRKB-NXUCFJMCSA-N
norman_susdat_id: NS00041600
pubchem_cid: 2734988
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CC
inchi:
InChI=1/C30H50O2/c1-7-28(31)32-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3


name: Estra-1,3,5(10)-triene-3,17ß-diol bis(cyclopentanepropionate)
cas: 633-36-3
dtxsid: DTXSID80979386
formula: C34H48O4
inchikey: PVDLDDBZCWVZBX-FTWOUWFXSA-N
norman_susdat_id: NS00041989
pubchem_cid: 101811
smiles: O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(OC(=O)CCC5CCCC5)CCC34)CCC6CCCC6
inchi:
InChI=1/C34H48O4/c1-34-21-20-28-27-15-13-26(37-32(35)18-10-23-6-2-3-7-23)22-25(27)12-14-29(28)30(34)16-17-31(34)38-33(36)19-11-24-8-4-5-9-24/h13,15,22-24,28-31H,2-12,14,16-21H2,1H3


name: Berberine hydrochloride
cas: 633-65-8
formula: C20H18NO4.Cl
inchikey: VKJGBAJNNALVAV-UHFFFAOYSA-N
norman_susdat_id: NS00079577
smiles: Cl.COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC
inchi:
InChI=1/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;


name: Berberine hydrogen sulphate
cas: 633-66-9
formula: C20H18NO4.HO4S
inchikey: JISRTQBQFQMSLG-UHFFFAOYSA-L
norman_susdat_id: NS00079348
smiles: COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C20H18NO4.H2O4S/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q+1;/p-2


name: Cifostodine
cas: 633-90-9
chebiid: CHEBI:27652
dtxsid: DTXSID90212690
formula: C9H12N3O7P
inchikey: NMPZCCZXCOMSDQ-XVFCMESISA-N
norman_susdat_id: NS00042438
pubchem_cid: 68934
smiles: O=C1N=C(N)C=CN1C2OC(CO)C3OP(=O)(O)OC23
inchi:
InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1


name: C.I. Acid Orange 7
cas: 633-96-5
chemspiderid: 21171709
dtxsid: DTXSID0038881
formula: C16H12N2O4S1
inchikey: CQPFMGBJSMSXLP-UHFFFAOYSA-M
norman_susdat_id: NS00019572
pubchem_cid: NA
smiles: [Na+].[O-]S(=O)(=O)c1ccc(NN=C2C(=O)C=Cc3ccccc23)cc1
inchi:
InChI=1S/C16H12N2O4S/c19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22/h1-10,17H,(H,20,21,22)/b18-16+


name: Bis(4-nonylphenyl) chlorophosphite
cas: 63302-49-8
dtxsid: DTXSID5028116
formula: C30H46ClO2P
inchikey: XWUQKTYXUWUEDG-UHFFFAOYSA-N
norman_susdat_id: NS00055918
pubchem_cid: 113172
smiles: ClP(OC1=CC=C(C=C1)CCCCCCCCC)OC2=CC=C(C=C2)CCCCCCCCC
inchi:
InChI=1/C30H46ClO2P/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)32-34(31)33-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2/h19-26H,3-18H2,1-2H3


name: 1,1',1''-(1,1,3,5-tetramethylpentane-1,3,5-triyl)tris(cyclohexane)
cas: 63302-75-0
dtxsid: DTXSID10867000
formula: C27H50
inchikey: KVXHICLGXOIJMS-UHFFFAOYSA-N
norman_susdat_id: NS00057239
pubchem_cid: 112640
smiles: CC(CC(C)(CC(C)(C)C1CCCCC1)C2CCCCC2)C3CCCCC3
inchi:
InChI=1/C27H50/c1-22(23-14-8-5-9-15-23)20-27(4,25-18-12-7-13-19-25)21-26(2,3)24-16-10-6-11-17-24/h22-25H,5-21H2,1-4H3


name: Bis(nonylphenyl) phenyl phosphate
cas: 63302-94-3
dtxsid: DTXSID50979398
formula: C36H51O4P
inchikey: FTSMGZRCWLCYHC-UHFFFAOYSA-N
norman_susdat_id: NS00056343
pubchem_cid: 3034375
smiles: O=P(OC=1C=CC=CC1)(OC=2C=CC=CC2CCCCCCCCC)OC=3C=CC=CC3CCCCCCCCC
inchi:
InChI=1/C36H51O4P/c1-3-5-7-9-11-13-16-24-32-26-20-22-30-35(32)39-41(37,38-34-28-18-15-19-29-34)40-36-31-23-21-27-33(36)25-17-14-12-10-8-6-4-2/h15,18-23,26-31H,3-14,16-17,24-25H2,1-2H3


name: Bis[(1-methyl-1-phenylethyl)phenyl] phenyl phosphate
cas: 63302-95-4
dtxsid: DTXSID10979399
formula: C36H35O4P
inchikey: JSTUKMRYYAHONK-UHFFFAOYSA-N
norman_susdat_id: NS00056464
pubchem_cid: 3034376
smiles: O=P(OC=1C=CC=CC1)(OC=2C=CC=CC2C(C=3C=CC=CC3)(C)C)OC=4C=CC=CC4C(C=5C=CC=CC5)(C)C
inchi:
InChI=1/C36H35O4P/c1-35(2,28-18-8-5-9-19-28)31-24-14-16-26-33(31)39-41(37,38-30-22-12-7-13-23-30)40-34-27-17-15-25-32(34)36(3,4)29-20-10-6-11-21-29/h5-27H,1-4H3


name: Tris[(1-methyl-1-phenylethyl)phenyl] phosphate
cas: 63302-98-7
dtxsid: DTXSID60979400
formula: C45H45O4P
inchikey: GRKJROPMIVLNDL-UHFFFAOYSA-N
norman_susdat_id: NS00055920
pubchem_cid: 19814548
smiles: O=P(OC=1C=CC=CC1C(C=2C=CC=CC2)(C)C)(OC=3C=CC=CC3C(C=4C=CC=CC4)(C)C)OC=5C=CC=CC5C(C=6C=CC=CC6)(C)C
inchi:
InChI=1/C45H45O4P/c1-43(2,34-22-10-7-11-23-34)37-28-16-19-31-40(37)47-50(46,48-41-32-20-17-29-38(41)44(3,4)35-24-12-8-13-25-35)49-42-33-21-18-30-39(42)45(5,6)36-26-14-9-15-27-36/h7-33H,1-6H3


name: 2-[(4-chloro-2-nitrophenyl)azo]-N-(4-chlorophenyl)-3-oxobutyramide
cas: 63314-66-9
formula: C16H13Cl2N4O4
inchikey: UTZPVJKRCMYHIT-UHFFFAOYSA-N
norman_susdat_id: NS00057240
pubchem_cid: NA
smiles: O=C(NC1=CC=C(Cl)C=C1)C(N=NC2=CC=C(Cl)C=C2[N+](=O)[O-])C(=O)C
inchi:
InChI=1/C16H12Cl2N4O4/c1-9(23)15(16(24)19-12-5-2-10(17)3-6-12)21-20-13-7-4-11(18)8-14(13)22(25)26/h2-8,15H,1H3,(H,19,24)


name: 5-Cyclopentadecen-1-one, 3-methyl-
cas: 63314-79-4
chemspiderid: 57523122
dtxsid: DTXSID8051386
formula: C16H28O1
inchikey: NKMKFQCVDZVEJR-UHFFFAOYNA-N
norman_susdat_id: NS00019534
pubchem_cid: NA
smiles: CC1CC=CCCCCCCCCCC(=O)C1
inchi:
InChI=1S/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h8,10,15H,2-7,9,11-14H2,1H3/b10-8+/t15-/m0/s1


name: Dipotassium 3,3'-sulphonylbis(benzenesulphonate)
cas: 63316-33-6
dtxsid: DTXSID00889812
formula: C12H10O8S3
inchikey: SCIXRAVJLLWCDJ-UHFFFAOYSA-L
norman_susdat_id: NS00055101
pubchem_cid: 163000
smiles: [K+].[K+].O=S(=O)([O-])C1=CC=CC(=C1)S(=O)(=O)C=2C=CC=C(C2)S(=O)(=O)[O-]
inchi:
InChI=1/C12H10O8S3.2K/c13-21(14,9-3-1-5-11(7-9)22(15,16)17)10-4-2-6-12(8-10)23(18,19)20;;/h1-8H,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2


name: Potassium 3-(phenylsulphonyl)benzenesulphonate
cas: 63316-43-8
dtxsid: DTXSID30872797
formula: C12H10O5S2
inchikey: HGJYOHAIVZXUML-UHFFFAOYSA-M
norman_susdat_id: NS00055102
pubchem_cid: 113013
smiles: [K+].O=S(=O)([O-])C1=CC=CC(=C1)S(=O)(=O)C=2C=CC=CC2
inchi:
InChI=1/C12H10O5S2.K/c13-18(14,10-5-2-1-3-6-10)11-7-4-8-12(9-11)19(15,16)17;/h1-9H,(H,15,16,17);/q;+1/p-1


name: Bromethalin
cas: 63333-35-7
chebiid: CHEBI:81895
chemspiderid: 40463
dtxsid: DTXSID8032590
formula: C14H7Br3F3N3O4
inchikey: USMZPYXTVKAYST-UHFFFAOYSA-N
norman_susdat_id: NS00007599
pubchem_cid: 44465
smiles: CN(c1c(Br)cc(Br)cc1Br)c1c(cc(cc1C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O
inchi:
InChI=1S/C14H7Br3F3N3O4/c1-21(13-9(16)2-6(15)3-10(13)17)12-8(14(18,19)20)4-7(22(24)25)5-11(12)23(26)27/h2-5H,1H3


name: Chuangxinmycin
cas: 63339-68-4
chebiid: CHEBI:79391
chemspiderid: 2301053
dtxsid: DTXSID00212722
formula: C12H11N1O2S1
inchikey: DKHFLDXCKWDVMF-UPONEAKYSA-N
norman_susdat_id: NS00011784
pubchem_cid: 3037261
smiles: C[C@H]1c2c[nH]c3c2c(ccc3)S[C@H]1C(=O)O
inchi:
InChI=1S/C12H11NO2S/c1-6-7-5-13-8-3-2-4-9(10(7)8)16-11(6)12(14)15/h2-6,11,13H,1H3,(H,14,15)/t6-,11+/m0/s1


name: Dieuropium trimagnesium dodecanitrate
cas: 63339-73-1
formula: Eu.6HNO3.3/2Mg
inchi: InChI=1/2Eu.3Mg.12NO3/c;;;;;12*2-1(3)4/q5*+2;12*-1
inchikey: QQJWUNGNCRCLQU-UHFFFAOYSA-N
norman_susdat_id: NS00087703
smiles:
[Mg+2].[Mg+2].[Mg+2].[Eu+2].[Eu+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-
cas: 6334-97-0
chemspiderid: 72818
dtxsid: DTXSID6064242
formula: C12H11N1O5S1
inchikey: KKAMNIDZQVXDJV-UHFFFAOYSA-N
norman_susdat_id: NS00035420
pubchem_cid: 80629
smiles: CC(=O)Nc1cc2cc(cc(O)c2cc1)S(=O)(=O)O
inchi:
InChI=1S/C12H11NO5S/c1-7(14)13-9-2-3-11-8(4-9)5-10(6-12(11)15)19(16,17)18/h2-6,15H,1H3,(H,13,14)(H,16,17,18)


name: (1-methyl-1-phenylethyl)phenyl nonylphenyl phenyl phosphate
cas: 63340-28-3
formula: C36H43O4P
inchikey: KEQZPINZLHHONN-UHFFFAOYSA-N
norman_susdat_id: NS00055047
pubchem_cid: 21116752
smiles: O=P(OC=1C=CC=CC1)(OC=2C=CC=CC2CCCCCCCCC)OC=3C=CC=CC3C(C=4C=CC=CC4)(C)C
inchi:
InChI=1/C36H43O4P/c1-4-5-6-7-8-9-12-21-30-22-17-19-28-34(30)39-41(37,38-32-25-15-11-16-26-32)40-35-29-20-18-27-33(35)36(2,3)31-23-13-10-14-24-31/h10-11,13-20,22-29H,4-9,12,21H2,1-3H3


name: Ammonium 2-[2-[2-[2-(nonylphenoxy)ethoxy]ethoxy]ethoxy]ethyl sulphate
cas: 63351-73-5
dtxsid: DTXSID90979498
formula: C23H40O8S
inchikey: UQUJKVCCSZABMY-UHFFFAOYSA-N
norman_susdat_id: NS00055104
pubchem_cid: 3017409
smiles: O=S(=O)([O-])OCCOCCOCCOCCOC=1C=CC=CC1CCCCCCCCC.[NH4+]
inchi:
InChI=1/C23H40O8S.H3N/c1-2-3-4-5-6-7-8-11-22-12-9-10-13-23(22)30-20-18-28-16-14-27-15-17-29-19-21-31-32(24,25)26;/h9-10,12-13H,2-8,11,14-21H2,1H3,(H,24,25,26);1H3


name: N(2)-(2-carboxyethyl)-l-arginine
cas: 63358-47-4
chebiid: CHEBI:57304
formula: C9H18N4O4
inchikey: OHWCFZJEIHZWMN-LURJTMIESA-N
norman_susdat_id: NS00068549
pubchem_cid: 25202473
smiles: N=C(N)NCCC[C@H](NCCC(=O)O)C(=O)O
inchi:
InChI=1S/C9H18N4O4/c10-9(11)13-4-1-2-6(8(16)17)12-5-3-7(14)15/h6,12H,1-5H2,(H,14,15)(H,16,17)(H4,10,11,13)/t6-/m0/s1


name: 4-Sulfanilamidobenzoic acid
cas: 6336-70-5
chebiid: CHEBI:53237
chemspiderid: 72822
dtxsid: DTXSID90212756
formula: C13H12N2O4S1
inchikey: WNLOVPITXSWKEZ-UHFFFAOYSA-N
norman_susdat_id: NS00035422
pubchem_cid: 80635
smiles: Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)O
inchi:
InChI=1S/C13H12N2O4S/c14-10-3-7-12(8-4-10)20(18,19)15-11-5-1-9(2-6-11)13(16)17/h1-8,15H,14H2,(H,16,17)


name: 1,4-Bis(1H,1H,9H-perfluorononyl) sulfobutanedioate sodium
cas: 63367-17-9
chemspiderid: NA
dtxsid: DTXSID90881365
formula: C22H10F32O7S1
inchikey: QHBXDWMEIZAKGK-UHFFFAOYSA-M
norman_susdat_id: NS00019169
pubchem_cid: 23669128
inchi:
InChI=1S/C22H10F32O7S/c23-7(24)11(31,32)15(39,40)19(47,48)21(51,52)17(43,44)13(35,36)9(27,28)2-60-5(55)1-4(62(57,58)59)6(56)61-3-10(29,30)14(37,38)18(45,46)22(53,54)20(49,50)16(41,42)12(33,34)8(25)26/h4,7-8H,1-3H2,(H,57,58,59)

smiles:
[Na+].[O-]S(=O)(=O)C(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F


name: [(2-methylphenyl)methyl]triphenylphosphonium chloride
cas: 63368-36-5
formula: C26H24P.Cl
inchikey: RDHRQYBAQXBTNT-UHFFFAOYSA-M
norman_susdat_id: NS00087696
smiles: [Cl-].Cc1ccccc1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C26H24P.ClH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1


name: Disodium 9,10-dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,6-disulphonate
cas: 6337-26-4
dtxsid: DTXSID1064243
formula: C14H8N2O14S2
inchikey: LXCKMUGIXYIYJS-UHFFFAOYSA-L
norman_susdat_id: NS00044226
pubchem_cid: 5483344
inchi:
InChI=1/C14H6N2O14S2.2Na/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)8-4(16(23)24)2-6(32(28,29)30)12(18)10(8)13(7)19;;/h1-2,17-18H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C2=C(O)C(=CC(=C2C(=O)C3=C(O)C(=CC(=C13)[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-]


name: Propanedioic acid, 2,2'-(1,4-phenylenedimethylidyne)bis-, tetraethyl ester
cas: 6337-43-5
chemspiderid: 86502
dtxsid: DTXSID7074406
formula: C22H26O8
inchikey: YUOKTNQLLUHUEK-UHFFFAOYSA-N
norman_susdat_id: NS00021275
pubchem_cid: 95823
smiles: CCOC(=O)C(=Cc1ccc(C=C(C(=O)OCC)C(=O)OCC)cc1)C(=O)OCC
inchi:
InChI=1S/C22H26O8/c1-5-27-19(23)17(20(24)28-6-2)13-15-9-11-16(12-10-15)14-18(21(25)29-7-3)22(26)30-8-4/h9-14H,5-8H2,1-4H3


cas: 63391-86-6
dtxsid: DTXSID50880536
norman_susdat_id: NS00110595
name:
1-Propene, polymer with 1,1,1,2,2,3,3-heptafluoro-3-[(trifluoroethenyl)oxy]propane and tetrafluoroethene


name: Plafibride
cas: 63394-05-8
chebiid: CHEBI:135503
chemspiderid: 62056
dtxsid: DTXSID1023491
formula: C16H22Cl1N3O4
inchikey: DDDQVDIPBFGVIG-UHFFFAOYSA-N
norman_susdat_id: NS00035428
pubchem_cid: 68822
smiles: CC(C)(Oc1ccc(Cl)cc1)C(=O)NC(=O)NCN1CCOCC1
inchi:
InChI=1S/C16H22ClN3O4/c1-16(2,24-13-5-3-12(17)4-6-13)14(21)19-15(22)18-11-20-7-9-23-10-8-20/h3-6H,7-11H2,1-2H3,(H2,18,19,21,22)


name: BIS(BETA-CARBOBUTOXYETHYL) TIN BIS(ISOOCTYLMERCAOTOACETATE)
cas: 63397-60-4
dtxsid: DTXSID7069817
formula: C34H64O8S2Sn
inchikey: GMQMYECSRQAAJP-UHFFFAOYSA-L
norman_susdat_id: NS00112986
smiles: CCCCOC(=O)CC[Sn](CCC(=O)OCCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C
inchi:
InChI=1S/2C10H20O2S.2C7H13O2.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;2*1-3-5-6-9-7(8)4-2;/h2*9,13H,3-8H2,1-2H3;2*2-6H2,1H3;/q;;;;+2/p-2


name: Alepterolic acid
cas: 63399-38-2
chemspiderid: 10295016
formula: C20H32O3
inchikey: LNWOKEZJIRLIDO-OUKQBFOZNA-N
norman_susdat_id: NS00067896
pubchem_cid: 13858188
inchi:
InChI=1S/C20H32O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-17,21H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16-,17-,20+/m0/s1


name: Adenosine cyclic 2',3'-(hydrogen phosphate)
cas: 634-01-5
chebiid: CHEBI:175195
chemspiderid: 1947
formula: C10H12N5O6P1
inchikey: KMYWVDDIPVNLME-UHFFFAOYSA-N
norman_susdat_id: NS00035430
pubchem_cid: 2024
smiles: c1nc(c2c(n1)n(cn2)C3C4C(C(O3)CO)OP(=O)(O4)O)N
inchi:
InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6+,7-,10-/m0/s1


name: Guanosine cyclic 2',3'-(hydrogen phosphate)
cas: 634-02-6
dtxsid: DTXSID80979568
formula: C9H10N5O6P
inchikey: VKZAQJHLFAGZPB-UHFFFAOYSA-N
norman_susdat_id: NS00042439
pubchem_cid: NA
smiles: O=P1(O)OC2COC(N3C=NC=4C(O)=NC(=NC43)N)C2O1
inchi:
InChI=1/C9H10N5O6P/c10-9-12-6-4(7(15)13-9)11-2-14(6)8-5-3(1-18-8)19-21(16,17)20-5/h2-3,5,8H,1H2,(H,16,17)(H3,10,12,13,15)


name: 1-ethyl-2-[(1-ethyl-4(1H)-quinolylidene)methyl]quinolinium iodide
cas: 634-21-9
dtxsid: DTXSID80883515
formula: C23H23N2
inchikey: MYKATFBGLTVMQX-UHFFFAOYSA-M
norman_susdat_id: NS00042002
pubchem_cid: NA
smiles: [I-].C=1C=CC2=C(C1)C=CC(C=C3C=CN(C=4C=CC=CC34)CC)=[N+]2CC
inchi:
InChI=1/C23H23N2.HI/c1-3-24-16-15-19(21-10-6-8-12-23(21)24)17-20-14-13-18-9-5-7-11-22(18)25(20)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1


name: Cadmium pentadecanoate
cas: 63400-09-9
formula: C15H30O2.1/2Cd
inchikey: HCSDRWMPGKDJJE-UHFFFAOYSA-L
norman_susdat_id: NS00087462
smiles: [Cd+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C15H30O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2


name: Zinc heptadecanoate
cas: 63400-11-3
formula: C17H34O2.1/2Zn
inchikey: WJECRDPVMSNVCG-UHFFFAOYSA-L
norman_susdat_id: NS00087697
smiles: [Zn+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C17H34O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2*2-16H2,1H3,(H,18,19);/q;;+2/p-2


name: Zinc pentadecanoate
cas: 63400-12-4
formula: C15H30O2.1/2Zn
inchikey: KJXJUNLZVMSVRI-UHFFFAOYSA-L
norman_susdat_id: NS00087726
smiles: [Zn+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C15H30O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2


name: 4-[(5-amino-2-sulphophenyl)azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
cas: 63400-64-6
dtxsid: DTXSID00885758
formula: C16H13N5O9S2
inchikey: VBYWTDIEYSAZHP-UHFFFAOYSA-N
norman_susdat_id: NS00055088
pubchem_cid: 112643
smiles: O=C(O)C1=NN(C(=O)C1N=NC2=CC(N)=CC=C2S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O
inchi:
InChI=1/C16H13N5O9S2/c17-8-1-6-12(32(28,29)30)11(7-8)18-19-13-14(16(23)24)20-21(15(13)22)9-2-4-10(5-3-9)31(25,26)27/h1-7,13H,17H2,(H,23,24)(H,25,26,27)(H,28,29,30)


name: Sodium 3-[[3-methoxy-4-[(4-methoxyphenyl)azo]phenyl]azo]benzenesulphonate
cas: 63405-85-6
dtxsid: DTXSID7069819
formula: C20H18N4O5S
inchikey: JGUAUYIJLLJIQS-UHFFFAOYSA-M
norman_susdat_id: NS00056058
pubchem_cid: 113191
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N=NC3=CC=C(OC)C=C3)C(OC)=C2)C1
inchi:
InChI=1/C20H18N4O5S.Na/c1-28-17-9-6-14(7-10-17)21-24-19-11-8-16(13-20(19)29-2)23-22-15-4-3-5-18(12-15)30(25,26)27;/h3-13H,1-2H3,(H,25,26,27);/q;+1/p-1


name: 5,7-dichloro-4-(2,4,5-trichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole
cas: 63405-99-2
dtxsid: DTXSID40212822
formula: C14H4Cl5F3N2O
inchikey: RPICHNHPPUQIHI-UHFFFAOYSA-N
norman_susdat_id: NS00054725
pubchem_cid: 173917
smiles: FC(F)(F)C1=NC=2C(Cl)=CC(Cl)=C(OC3=CC(Cl)=C(Cl)C=C3Cl)C2N1
inchi:
InChI=1/C14H4Cl5F3N2O/c15-4-1-6(17)9(3-5(4)16)25-12-8(19)2-7(18)10-11(12)24-13(23-10)14(20,21)22/h1-3H,(H,23,24)


name: Disodium 7-[(4-amino-5-methoxy-o-tolyl)azo]naphthalene-1,3-disulphonate
cas: 6341-28-2
formula: C18H17N3O7S2.2Na
inchikey: DUBWIMUZGAMHSB-UHFFFAOYSA-L
norman_susdat_id: NS00080539
smiles: [Na+].[Na+].Nc1cc(C)c(cc1OC)N=Nc2cc3c(cc(cc3cc2)S([O-])(=O)=O)S([O-])(=O)=O
inchi:
InChI=1/C18H17N3O7S2.2Na/c1-10-5-15(19)17(28-2)9-16(10)21-20-12-4-3-11-6-13(29(22,23)24)8-18(14(11)7-12)30(25,26)27;;/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


name: (R)-(((4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl)amino)phenylaceticacid
cas: 63422-71-9
chemspiderid: 2015435
dtxsid: DTXSID50212838
formula: C15H17N3O5
inchikey: JQEHQELQPPKXRR-LLVKDONJSA-N
norman_susdat_id: NS00001887
pubchem_cid: 2733658
smiles: CCN1CCN(C(=O)N[C@@H](C(O)=O)c2ccccc2)C(=O)C1=O
inchi:
InChI=1S/C15H17N3O5/c1-2-17-8-9-18(13(20)12(17)19)15(23)16-11(14(21)22)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,16,23)(H,21,22)/t11-/m1/s1


name: 1-ethyl-2-[(3-ethyl-4-phenyl-3H-oxazol-2-ylidene)methyl]quinolinium iodide
cas: 63425-46-7
dtxsid: DTXSID70885760
formula: C23H23N2O
inchikey: QELUHEHBCSOZOG-UHFFFAOYSA-M
norman_susdat_id: NS00054727
pubchem_cid: NA
smiles: [I-].O1C=C(C=2C=CC=CC2)N(C1=CC=3C=CC=4C=CC=CC4[N+]3CC)CC
inchi:
InChI=1/C23H23N2O.HI/c1-3-24-20(15-14-19-12-8-9-13-21(19)24)16-23-25(4-2)22(17-26-23)18-10-6-5-7-11-18;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1


name: 2-Naphthyl laurate
cas: 6343-73-3
chemspiderid: 72841
dtxsid: DTXSID60212844
formula: C22H30O2
inchikey: CIGGUBXZFFSTTA-UHFFFAOYSA-N
norman_susdat_id: NS00035434
pubchem_cid: 80656
smiles: CCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1
inchi:
InChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-15-22(23)24-21-17-16-19-13-11-12-14-20(19)18-21/h11-14,16-18H,2-10,15H2,1H3


name: 2-Naphthyl stearate
cas: 6343-74-4
chemspiderid: 72842
dtxsid: DTXSID20212845
formula: C28H42O2
inchikey: JIMMXKUAHBEQPE-UHFFFAOYSA-N
norman_susdat_id: NS00035435
pubchem_cid: 80657
smiles: CCCCCCCCCCCCCCCCCC(=O)Oc1cc2c(cccc2)cc1
inchi:
InChI=1S/C28H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(29)30-27-23-22-25-19-17-18-20-26(25)24-27/h17-20,22-24H,2-16,21H2,1H3


name: 2'-anilino-6'-[ethyl(p-tolyl)amino]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 63430-54-6
dtxsid: DTXSID80886581
formula: C35H28N2O3
inchikey: KSQRPGOLPPYMJS-UHFFFAOYSA-N
norman_susdat_id: NS00055176
pubchem_cid: 112647
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)NC=5C=CC=CC5)N(C6=CC=C(C=C6)C)CC)C=7C=CC=CC17
inchi:
InChI=1/C35H28N2O3/c1-3-37(26-16-13-23(2)14-17-26)27-18-19-30-33(22-27)39-32-20-15-25(36-24-9-5-4-6-10-24)21-31(32)35(30)29-12-8-7-11-28(29)34(38)40-35/h4-22,36H,3H2,1-2H3


cas: 63430-57-9
dtxsid: DTXSID40886582
formula: C37H32N2O3
inchikey: NBGXBMYIFVBGPM-UHFFFAOYSA-N
norman_susdat_id: NS00056059
pubchem_cid: 112648
smiles: O=C1OC2(C3=CC=C(C=C3OC=4C=C(C(=CC42)NC5=CC=C(C=C5)C)C)N(C6=CC=C(C=C6)C)CC)C=7C=CC=CC17
name:
6'-[ethyl(p-tolyl)amino]-3'-methyl-2'-[(p-tolyl)amino]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one

inchi:
InChI=1/C37H32N2O3/c1-5-39(27-16-12-24(3)13-17-27)28-18-19-31-35(21-28)41-34-20-25(4)33(38-26-14-10-23(2)11-15-26)22-32(34)37(31)30-9-7-6-8-29(30)36(40)42-37/h6-22,38H,5H2,1-4H3


name: BETA-CARBOBUTOXYETHYLTIN TRIS(ISOOCTYL MERCAPTOACETATE)
cas: 63438-80-2
dtxsid: DTXSID1069821
formula: C37H70O8S3Sn
inchikey: NAXJREFTBAJZEM-UHFFFAOYSA-K
norman_susdat_id: NS00112987
smiles: CCCCOC(=O)CC[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C
inchi:
InChI=1S/3C10H20O2S.C7H13O2.Sn/c3*1-9(2)6-4-3-5-7-12-10(11)8-13;1-3-5-6-9-7(8)4-2;/h3*9,13H,3-8H2,1-2H3;2-6H2,1H3;/q;;;;+3/p-3


name: 7:2 Fluorotelomer diammonium phosphate
cas: 63439-39-4
dtxsid: DTXSID90881360
formula: C9H12F15N2O4P
inchikey: ZPWQZSLKVMQXKQ-UHFFFAOYSA-N
norman_susdat_id: NS00111974
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)F
inchi:
InChI=1S/C9H6F15O4P.2H3N/c10-3(11,1-2-28-29(25,26)27)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24;;/h1-2H2,(H2,25,26,27);2*1H3


name: 1,1'-Oxybis(2,4,6-trinitrobenzene)
cas: 63441-08-7
chemspiderid: 207138
dtxsid: DTXSID60212864
formula: C12H4N6O13
inchikey: FMGQOJATXJFNGA-UHFFFAOYSA-N
norman_susdat_id: NS00035437
pubchem_cid: 6454606
smiles: [O-][N+](=O)c1cc(c(Oc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C12H4N6O13/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)31-12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H


name: (Z,Z)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]-9-octadecenamide
cas: 63441-26-9
dtxsid: DTXSID60893571
formula: C40H75N3O
inchikey: VASZKKUIFVKZER-FKVHLOHMSA-N
norman_susdat_id: NS00056061
pubchem_cid: 113195
smiles: O=C(NCCN1C(=NCC1)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C40H75N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-37-43(39)38-36-42-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-38H2,1-2H3,(H,42,44)


name: N-(phosphonoacetyl)-L-Ornithine
cas: 63446-55-9
dtxsid: DTXSID10979657
formula: C7H15N2O6P
inchikey: FCIHAQFHXJOLIF-YFKPBYRVSA-N
norman_susdat_id: NS00068830
pubchem_cid: 124992
smiles: N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O
inchi:
InChI=1S/C7H15N2O6P/c8-5(7(11)12)2-1-3-9-6(10)4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H2,13,14,15)/t5-/m0/s1


name: Chlorinated paraffins
cas: 63449-39-8
chemspiderid: 4447439
dtxsid: DTXSID1033325
formula: C24H44Cl6
inchikey: QKUNKVYPGIOQNP-UHFFFAOYSA-N
norman_susdat_id: NS00014226
pubchem_cid: 6537497
smiles: CCCC(Cl)CCCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCCC(Cl)CCC
inchi:
InChI=1S/C24H44Cl6/c1-3-7-19(25)9-5-11-21(27)13-15-23(29)17-18-24(30)16-14-22(28)12-6-10-20(26)8-4-2/h19-24H,3-18H2,1-2H3


name: benzalkonium chloride (ABDAC)
cas: 63449-41-2
chemspiderid: 13165
formula: C19H34N1
inchikey: UARILQSOMYIQCM-UHFFFAOYSA-N
norman_susdat_id: NS00014218
pubchem_cid: 13763
smiles: [Cl-].CCCCCCCCCC[N+](C)(C)Cc1ccccc1
inchi:
InChI=1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1


name: 1-cyclohexyl-3-(2-cyclohexyl-2-methylpropyl)octahydro-1,3-dimethyl-1H-indene
cas: 63449-48-9
dtxsid: DTXSID50867009
formula: C27H48
inchikey: DXYKKANYEKMZIR-UHFFFAOYSA-N
norman_susdat_id: NS00055090
pubchem_cid: 112649
smiles: CC(C)(CC1(C)CC(C)(C2CCCCC2)C3CCCCC31)C4CCCCC4
inchi:
InChI=1/C27H48/c1-25(2,21-13-7-5-8-14-21)19-26(3)20-27(4,22-15-9-6-10-16-22)24-18-12-11-17-23(24)26/h21-24H,5-20H2,1-4H3


name: Carbamic acid, [2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-, ethyl ester
cas: 63450-46-4
chemspiderid: 101457
dtxsid: DTXSID0069830
formula: C13H10F3N1O4
inchikey: VUJLMASTRUYUHD-UHFFFAOYSA-N
norman_susdat_id: NS00035443
pubchem_cid: 113207
smiles: CCOC(=O)Nc1cc2c(cc1)c(cc(=O)o2)C(F)(F)F
inchi:
InChI=1S/C13H10F3NO4/c1-2-20-12(19)17-7-3-4-8-9(13(14,15)16)6-11(18)21-10(8)5-7/h3-6H,2H2,1H3,(H,17,19)


cas: 63450-67-9
formula: C43H49N2O6S2.I.2Na
inchikey: HDIVZKFFHOZQDS-UHFFFAOYSA-L
norman_susdat_id: NS00088188
name:
2-[7-[1,3-dihydro-1,1-dimethyl-3-(4-sulphonatobutyl)-2H-benz[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethyl-3-(4-sulphonatobutyl)-1H-benz[e]indolium disodium iodide

inchi:
InChI=1/C43H48N2O6S2.HI.2Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;;;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);1H;;/q;;2*+1/p-2

smiles:
[Na+].[Na+].[I-].[O-]S(=O)(=O)CCCC[N+]=6c2ccc1ccccc1c2C(C)(C)C=6C=CC=CC=CC=C5N(CCCCS([O-])(=O)=O)c4ccc3ccccc3c4C5(C)C


name: Benzoic acid, 2-[bis(4-hydroxyphenyl)methyl]-, ethyl ester
cas: 63450-78-2
chemspiderid: 101465
dtxsid: DTXSID4069840
formula: C22H20O4
inchikey: ICEYQDSJXDMZGH-UHFFFAOYSA-N
norman_susdat_id: NS00035445
pubchem_cid: 113216
smiles: CCOC(=O)c1c(cccc1)C(c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C22H20O4/c1-2-26-22(25)20-6-4-3-5-19(20)21(15-7-11-17(23)12-8-15)16-9-13-18(24)14-10-16/h3-14,21,23-24H,2H2,1H3


name: Sodium 1-(carboxymethyl)-2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium chloride
cas: 63451-12-7
formula: C24H47N2O3.Cl.Na
inchikey: MSUXGXODBFRJNO-UHFFFAOYSA-N
norman_susdat_id: NS00087777
smiles: [Na+].[Cl-].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O
inchi:
InChI=1/C24H46N2O3.ClH.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25-18-19-26(23,20-21-27)22-24(28)29;;/h27H,2-22H2,1H3;1H;/q;;+1


name: 2-[[4-(dimethylamino)phenyl]azo]benzoic acid monohydrochloride
cas: 63451-28-5
formula: C15H15N3O2.ClH
inchikey: ICTWKXAVJAHRMK-UHFFFAOYSA-N
norman_susdat_id: NS00087713
smiles: Cl.CN(C)c2ccc(N=Nc1ccccc1C(O)=O)cc2
inchi:
InChI=1/C15H15N3O2.ClH/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;/h3-10H,1-2H3,(H,19,20);1H


name: 2,4,6-tripyridin-2-yl-1,3,5-triazine monoperchlorate
cas: 63451-30-9
formula: C18H12N6.ClHO4
inchikey: PTLZEUPBWKXHDM-UHFFFAOYSA-N
norman_susdat_id: NS00088189
smiles: OCl(=O)(=O)=O.c1ccc(nc1)c2nc(nc(n2)c3ccccn3)c4ccccn4
inchi:
InChI=1/C18H12N6.ClHO4/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15;2-1(3,4)5/h1-12H;(H,2,3,4,5)


name: Calcium 5,5'-[(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bissalicylate (2:3)
cas: 63451-31-0
formula: C22H14O9.3/2Ca
inchikey: LWKDIGHPTQMAKL-UHFFFAOYSA-H
norman_susdat_id: NS00087722
inchi:
InChI=1/3C22H14O9.2Ca.4H/c3*23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;;;;;;/h3*1-9,23-24H,(H,26,27)(H,28,29)(H,30,31);;;;;;/q;;;2*+2;;;;/p-6/r3C22H14O9.2CaH2/c3*23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;;/h3*1-9,23-24H,(H,26,27)(H,28,29)(H,30,31);2*1H2/q;;;2*+2/p-6

smiles:
[CaH2].[CaH2].OC(=O)C1=CC(=C(c2ccc(O)c(c2)C(=O)[O-])c3ccc(O)c(c3)C(=O)[O-])C=CC1=O.OC(=O)C4=CC(=C(c5ccc(O)c(c5)C(=O)[O-])c6ccc(O)c(c6)C(=O)[O-])C=CC4=O.OC(=O)C7=CC(=C(c8ccc(O)c(c8)C(=O)[O-])c9ccc(O)c(c9)C(=O)[O-])C=CC7=O


name: Dipotassium [2,2'-biquinoline]-4,4'-dicarboxylate
cas: 63451-34-3
formula: C20H12N2O4.2K
inchikey: WCYSOCFXPUNTJG-UHFFFAOYSA-L
norman_susdat_id: NS00087788
smiles: [K+].[K+].[O-]C(=O)c1cc(nc2ccccc12)c3cc(C(=O)[O-])c4ccccc4n3
inchi:
InChI=1/C20H12N2O4.2K/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;;/h1-10H,(H,23,24)(H,25,26);;/q;2*+1/p-2


name: Trisodium 3-hydroxy-4-[(2-hydroxy-4-sulphonato-1-naphthyl)azo]naphthalene-2,7-disulphonate
cas: 63451-35-4
dtxsid: DTXSID8069852
formula: C20H14N2O11S3
inchikey: AUIINJJXRXMPGT-UHFFFAOYSA-K
norman_susdat_id: NS00056135
pubchem_cid: 113233
inchi:
InChI=1/C20H14N2O11S3.3Na/c23-15-9-16(35(28,29)30)13-3-1-2-4-14(13)18(15)21-22-19-12-6-5-11(34(25,26)27)7-10(12)8-17(20(19)24)36(31,32)33;;;/h1-9,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(O)C2N=NC3=C(O)C=C(C=4C=CC=CC34)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: (2-ethylhexylidene)benzohydrazide
cas: 63451-38-7
dtxsid: DTXSID20886601
formula: C15H22N2O
inchikey: XSVGJRPPSQWSIM-UHFFFAOYSA-N
norman_susdat_id: NS00056136
pubchem_cid: 112666
smiles: O=C(NN=CC(CC)CCCC)C=1C=CC=CC1
inchi:
InChI=1/C15H22N2O/c1-3-5-9-13(4-2)12-16-17-15(18)14-10-7-6-8-11-14/h6-8,10-13H,3-5,9H2,1-2H3,(H,17,18)


name: 2,6-Dinonyl-p-cresol
cas: 63451-44-5
chemspiderid: 101484
dtxsid: DTXSID3069855
formula: C25H44O1
inchikey: UXMKUNDWNZNECH-UHFFFAOYSA-N
norman_susdat_id: NS00035447
pubchem_cid: 113237
smiles: CCCCCCCCCc1cc(C)cc(CCCCCCCCC)c1O
inchi:
InChI=1S/C25H44O/c1-4-6-8-10-12-14-16-18-23-20-22(3)21-24(25(23)26)19-17-15-13-11-9-7-5-2/h20-21,26H,4-19H2,1-3H3


name: Bis(1-methylpentadecyl)hydroquinone
cas: 63451-51-4
dtxsid: DTXSID80979684
formula: C38H70O2
inchikey: HXKMMQQYUZPSTJ-UHFFFAOYSA-N
norman_susdat_id: NS00054776
pubchem_cid: 21118951
smiles: OC1=CC=C(O)C(=C1C(C)CCCCCCCCCCCCCC)C(C)CCCCCCCCCCCCCC
inchi:
InChI=1/C38H70O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-33(3)37-35(39)31-32-36(40)38(37)34(4)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-34,39-40H,5-30H2,1-4H3


name: Bis(1-methyltridecyl)hydroquinone
cas: 63451-52-5
dtxsid: DTXSID40979685
formula: C34H62O2
inchikey: DYMGYNNPBKCPPZ-UHFFFAOYSA-N
norman_susdat_id: NS00055161
pubchem_cid: 21118952
smiles: OC1=CC=C(O)C(=C1C(C)CCCCCCCCCCCC)C(C)CCCCCCCCCCCC
inchi:
InChI=1/C34H62O2/c1-5-7-9-11-13-15-17-19-21-23-25-29(3)33-31(35)27-28-32(36)34(33)30(4)26-24-22-20-18-16-14-12-10-8-6-2/h27-30,35-36H,5-26H2,1-4H3


name: (1-methylpentadecyl)(1-methyltridecyl)hydroquinone
cas: 63451-53-6
dtxsid: DTXSID00979686
formula: C36H66O2
inchikey: WIMIJTPDFXENMF-UHFFFAOYSA-N
norman_susdat_id: NS00054777
pubchem_cid: 21118953
smiles: OC1=CC=C(O)C(=C1C(C)CCCCCCCCCCCC)C(C)CCCCCCCCCCCCCC
inchi:
InChI=1/C36H66O2/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-32(4)36-34(38)30-29-33(37)35(36)31(3)27-25-23-21-19-16-14-12-10-8-6-2/h29-32,37-38H,5-28H2,1-4H3


name: 10-(3-Chloropropyl)-10H-phenothiazine-2-carbonitrile
cas: 63457-22-7
chemspiderid: 2285164
dtxsid: DTXSID50212878
formula: C16H13Cl1N2S1
inchikey: PCKXGHYLFFWXAN-UHFFFAOYSA-N
norman_susdat_id: NS00035451
pubchem_cid: 3017417
smiles: ClCCCN1c2c(Sc3c1cc(cc3)C#N)cccc2
inchi:
InChI=1S/C16H13ClN2S/c17-8-3-9-19-13-4-1-2-5-15(13)20-16-7-6-12(11-18)10-14(16)19/h1-2,4-7,10H,3,8-9H2


name: Corollin
cas: 63461-31-4
chemspiderid: 182708
formula: C15H21N3O15
inchikey: XQHIJIKPDBEMSE-WMNSZERYSA-N
norman_susdat_id: NS00094118
pubchem_cid: 158902
smiles:
C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-])O


name: Tetraoctadecylammonium bromide
cas: 63462-99-7
formula: C72H148N
inchikey: BUXYZRAZWWVKDS-UHFFFAOYSA-M
norman_susdat_id: NS00056185
pubchem_cid: 3017419
smiles: [Br-].CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C72H148N.BrH/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;/h5-72H2,1-4H3;1H/q+1;/p-1


cas: 63466-92-2
formula: C12H27O8P
norman_susdat_id: NS00101645
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (3:1), phosphate


name: 9,10-Anthracenedione, 1,4-bis[(2-methoxyethyl)amino]-
cas: 63466-98-8
chemspiderid: 89627
dtxsid: DTXSID2069860
formula: C20H22N2O4
inchikey: ZHMICNLCSJUGKY-UHFFFAOYSA-N
norman_susdat_id: NS00035455
pubchem_cid: 99206
smiles: COCCNc1ccc(NCCOC)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C20H22N2O4/c1-25-11-9-21-15-7-8-16(22-10-12-26-2)18-17(15)19(23)13-5-3-4-6-14(13)20(18)24/h3-8,21-22H,9-12H2,1-2H3


name: 9,10-Anthracenedione, 1-[(2-hydroxyethyl)amino]-4-[(2-methoxyethyl)amino]-
cas: 63466-99-9
chemspiderid: 101490
dtxsid: DTXSID7069861
formula: C19H20N2O4
inchikey: COXQBOPCXFTAIX-UHFFFAOYSA-N
norman_susdat_id: NS00035456
pubchem_cid: 113243
smiles: COCCNc1ccc(NCCO)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C19H20N2O4/c1-25-11-9-21-15-7-6-14(20-8-10-22)16-17(15)19(24)13-5-3-2-4-12(13)18(16)23/h2-7,20-22H,8-11H2,1H3


name: 1-Hydroxy-4-((2-methoxyethyl)amino)anthraquinone
cas: 63467-00-5
chemspiderid: 4956928
dtxsid: DTXSID40212887
formula: C17H15N1O4
inchikey: ANAJKKQWLIBRSM-UHFFFAOYSA-N
norman_susdat_id: NS00035457
pubchem_cid: 6454617
smiles: COCCNc1c2C(=O)c3c(cccc3)C(=O)c2c(O)cc1
inchi:
InChI=1S/C17H15NO4/c1-22-9-8-18-12-6-7-13(19)15-14(12)16(20)10-4-2-3-5-11(10)17(15)21/h2-7,18-19H,8-9H2,1H3


name: Propanenitrile, 3-[ethyl[4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]-
cas: 63467-01-6
chemspiderid: 101491
dtxsid: DTXSID2069862
formula: C19H19N5O2S2
inchikey: FHWQRHRVFYUHRD-UHFFFAOYSA-N
norman_susdat_id: NS00035458
pubchem_cid: 113244
smiles: CCN(CCC#N)c1ccc(cc1)N=Nc1nc2ccc(cc2s1)S(=O)(=O)C
inchi:
InChI=1S/C19H19N5O2S2/c1-3-24(12-4-11-20)15-7-5-14(6-8-15)22-23-19-21-17-10-9-16(28(2,25)26)13-18(17)27-19/h5-10,13H,3-4,12H2,1-2H3/b23-22+


name: Ethanol, 2,2'-[[4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]imino]bis-
cas: 63467-02-7
chemspiderid: 101492
dtxsid: DTXSID7069863
formula: C18H20N4O4S2
inchikey: ZVPFNHQYOQGSQI-UHFFFAOYSA-N
norman_susdat_id: NS00035459
pubchem_cid: 113245
smiles: CS(=O)(=O)c1ccc2nc(sc2c1)N=Nc1ccc(cc1)N(CCO)CCO
inchi:
InChI=1S/C18H20N4O4S2/c1-28(25,26)15-6-7-16-17(12-15)27-18(19-16)21-20-13-2-4-14(5-3-13)22(8-10-23)9-11-24/h2-7,12,23-24H,8-11H2,1H3/b21-20+


name: Ethanol, 2-[[2-methyl-4-[(4-nitrophenyl)azo]phenyl]amino]-
cas: 63467-05-0
chemspiderid: 101493
dtxsid: DTXSID2069864
formula: C15H16N4O3
inchikey: XPNPVCPVYKXTJO-UHFFFAOYSA-N
norman_susdat_id: NS00035460
pubchem_cid: 113246
smiles: Cc1c(NCCO)ccc(c1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C15H16N4O3/c1-11-10-13(4-7-15(11)16-8-9-20)18-17-12-2-5-14(6-3-12)19(21)22/h2-7,10,16,20H,8-9H2,1H3/b18-17+


name: 1,3-Cyclohexanedione, 2-[(4-chloro-2-nitrophenyl)azo]-5,5-dimethyl-
cas: 63467-06-1
chemspiderid: 101494
dtxsid: DTXSID7069865
formula: C14H14Cl1N3O4
inchikey: YQEWWWGIXNSFGR-UHFFFAOYSA-N
norman_susdat_id: NS00035461
pubchem_cid: 113247
smiles: CC1(C)CC(=O)C(N=Nc2c(cc(Cl)cc2)[N+](=O)[O-])C(=O)C1
inchi:
InChI=1S/C14H14ClN3O4/c1-14(2)6-11(19)13(12(20)7-14)17-16-9-4-3-8(15)5-10(9)18(21)22/h3-5,13H,6-7H2,1-2H3/b17-16+


name: Ethanol, 2,2'-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]imino]bis-
cas: 63467-07-2
chemspiderid: 101495
dtxsid: DTXSID2069866
formula: C16H16Cl2N4O4
inchikey: QODYUYUFBSECEG-UHFFFAOYSA-N
norman_susdat_id: NS00035462
pubchem_cid: 113248
smiles: OCCN(CCO)c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]
inchi:
InChI=1S/C16H16Cl2N4O4/c17-14-9-13(22(25)26)10-15(18)16(14)20-19-11-1-3-12(4-2-11)21(5-7-23)6-8-24/h1-4,9-10,23-24H,5-8H2/b20-19+


name: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]-
cas: 63467-08-3
chemspiderid: 101496
dtxsid: DTXSID7069867
formula: C20H21N5O6S1
inchikey: BBCMFXGIGGXVPH-UHFFFAOYSA-N
norman_susdat_id: NS00035463
pubchem_cid: 113249
smiles: CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)C
inchi:
InChI=1S/C20H21N5O6S/c1-15(26)31-13-12-24(11-3-10-21)17-6-4-16(5-7-17)22-23-19-9-8-18(25(27)28)14-20(19)32(2,29)30/h4-9,14H,3,11-13H2,1-2H3/b23-22+


name: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]-
cas: 63467-09-4
chemspiderid: 101497
dtxsid: DTXSID2069868
formula: C21H21N5O4S2
inchikey: QFMUFGXGLWRZKO-UHFFFAOYSA-N
norman_susdat_id: NS00035464
pubchem_cid: 113250
smiles: CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc1nc2ccc(cc2s1)S(=O)(=O)C
inchi:
InChI=1S/C21H21N5O4S2/c1-15(27)30-13-12-26(11-3-10-22)17-6-4-16(5-7-17)24-25-21-23-19-9-8-18(32(2,28)29)14-20(19)31-21/h4-9,14H,3,11-13H2,1-2H3/b25-24+


name: N-[3-[(2,3-dihydroxypropyl)amino]-2-methoxy-6-[(5-nitrothiazol-2-yl)azo]phenyl]acetamide
cas: 63467-10-7
dtxsid: DTXSID80886602
formula: C15H19N6O6S
inchikey: JISSCSLVNOPLGN-UHFFFAOYSA-N
norman_susdat_id: NS00054826
pubchem_cid: 112671
smiles: O=C(NC=1C(N=NC2=NC=C(S2)[N+](=O)[O-])=CC=C(NCC(O)CO)C1OC)C
inchi:
InChI=1/C15H18N6O6S/c1-8(23)18-13-10(19-20-15-17-6-12(28-15)21(25)26)3-4-11(14(13)27-2)16-5-9(24)7-22/h3-4,6,9,16,22,24H,5,7H2,1-2H3,(H,18,23)


name: 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl]ethylamino]propiononitrile
cas: 63467-11-8
dtxsid: DTXSID40886603
formula: C18H18Cl2N5O2
inchikey: GXWKYWHBRDHRFJ-UHFFFAOYSA-N
norman_susdat_id: NS00056186
pubchem_cid: 113251
smiles: N#CCCN(C1=CC=C(N=NC2=C(Cl)C=C(C=C2Cl)[N+](=O)[O-])C(=C1)C)CC
inchi:
InChI=1/C18H17Cl2N5O2/c1-3-24(8-4-7-21)13-5-6-17(12(2)9-13)22-23-18-15(19)10-14(25(26)27)11-16(18)20/h5-6,9-11H,3-4,8H2,1-2H3


cas: 63467-13-0
chemspiderid: 101499
dtxsid: DTXSID7069869
formula: C25H21N5O4S2
inchikey: GBVCFNGCJAGIKC-UHFFFAOYSA-N
norman_susdat_id: NS00035465
pubchem_cid: 113252
smiles: Cc1cc(NCCN2C(=O)c3c(cccc3)C2=O)ccc1N=Nc1nc2ccc(cc2s1)S(=O)(=O)C
name:
1H-Isoindole-1,3(2H)-dione, 2-[2-[[3-methyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]ethyl]-

inchi:
InChI=1S/C25H21N5O4S2/c1-15-13-16(26-11-12-30-23(31)18-5-3-4-6-19(18)24(30)32)7-9-20(15)28-29-25-27-21-10-8-17(36(2,33)34)14-22(21)35-25/h3-10,13-14,26H,11-12H2,1-2H3/b29-28+


name: 9,10-Anthracenedione, 1-amino-4-hydroxy-2-[2-[4-(2-hydroxyethyl)phenyl]ethoxy]-
cas: 63467-14-1
chemspiderid: 100826
dtxsid: DTXSID6069870
formula: C24H21N1O5
inchikey: OKZRROQYZKWXOV-UHFFFAOYSA-N
norman_susdat_id: NS00035466
pubchem_cid: 113253
smiles: Nc1c(OCCc2ccc(CCO)cc2)cc(O)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C24H21NO5/c25-22-19(30-12-10-15-7-5-14(6-8-15)9-11-26)13-18(27)20-21(22)24(29)17-4-2-1-3-16(17)23(20)28/h1-8,13,26-27H,9-12,25H2


name: 3-[[1-(2,5-dioxopyrrolidin-1-yl)ethyl][3-methyl-4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
cas: 63467-16-3
dtxsid: DTXSID00886604
formula: C22H23N6O4
inchikey: ZESHOMYLYNAZBH-UHFFFAOYSA-N
norman_susdat_id: NS00056187
pubchem_cid: 112673
smiles: N#CCCN(C1=CC=C(N=NC2=CC=C(C=C2)[N+](=O)[O-])C(=C1)C)C(N3C(=O)CCC3=O)C
inchi:
InChI=1/C22H22N6O4/c1-15-14-19(26(13-3-12-23)16(2)27-21(29)10-11-22(27)30)8-9-20(15)25-24-17-4-6-18(7-5-17)28(31)32/h4-9,14,16H,3,10-11,13H2,1-2H3


cas: 63467-18-5
chemspiderid: 101501
dtxsid: DTXSID6069872
formula: C22H23Cl1N6O5
inchikey: VNAXPGFEMFHYOF-UHFFFAOYSA-N
norman_susdat_id: NS00035467
pubchem_cid: 113254
smiles: CCN(CCN1C(=O)CCC1=O)c1cc(NC(=O)C)c(cc1)N=Nc1cc(Cl)c(cc1)[N+](=O)[O-]
name:
Acetamide, N-[2-[(3-chloro-4-nitrophenyl)azo]-5-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]ethylamino]phenyl]-

inchi:
InChI=1S/C22H23ClN6O5/c1-3-27(10-11-28-21(31)8-9-22(28)32)16-5-6-18(19(13-16)24-14(2)30)26-25-15-4-7-20(29(33)34)17(23)12-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,30)/b26-25-


name: 2-[6-(2,2-dicyanovinyl)-1,2,3,4-tetrahydro-2,2,4-trimethylquinolin-1-yl]ethyl carbanilate
cas: 63467-19-6
dtxsid: DTXSID80867012
formula: C25H26N4O2
inchikey: JWGCHIPZBXVFQZ-UHFFFAOYSA-N
norman_susdat_id: NS00054827
pubchem_cid: 112674
smiles: N#CC(C#N)=CC1=CC=C2C(=C1)C(C)CC(N2CCOC(=O)NC=3C=CC=CC3)(C)C
inchi:
InChI=1/C25H26N4O2/c1-18-15-25(2,3)29(11-12-31-24(30)28-21-7-5-4-6-8-21)23-10-9-19(14-22(18)23)13-20(16-26)17-27/h4-10,13-14,18H,11-12,15H2,1-3H3,(H,28,30)


name: Acetamide, N-[5-(ethylamino)-2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]azo]-4-methylphenyl]-
cas: 63467-24-3
chemspiderid: 101502
dtxsid: DTXSID1069873
formula: C15H20N6O1S2
inchikey: YVYGGPFQLVAPMM-UHFFFAOYSA-N
norman_susdat_id: NS00035468
pubchem_cid: 113255
smiles: CCNc1cc(NC(=O)C)c(cc1C)N=Nc1nnc(SCC)s1
inchi:
InChI=1S/C15H20N6OS2/c1-5-16-11-8-12(17-10(4)22)13(7-9(11)3)18-19-14-20-21-15(24-14)23-6-2/h7-8,16H,5-6H2,1-4H3,(H,17,22)/b19-18+


name: Sodium 5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate
cas: 63467-26-5
formula: C18H15ClN2O4S.Na
inchikey: UWIFGBJXYYEESZ-UHFFFAOYSA-M
norman_susdat_id: NS00087509
smiles: [Na+].CCc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S([O-])(=O)=O
inchi:
InChI=1/C18H15ClN2O4S.Na/c1-2-11-9-15(17(10-14(11)19)26(23,24)25)20-21-18-13-6-4-3-5-12(13)7-8-16(18)22;/h3-10,22H,2H2,1H3,(H,23,24,25);/q;+1/p-1


name: Sodium 3-(phenylazo)[1,1'-biphenyl]-4-olate
cas: 63467-44-7
formula: C18H14N2O.Na
inchikey: XTHMLOVTDKLLOR-UHFFFAOYSA-M
norman_susdat_id: NS00087546
smiles: [Na+].[O-]c2ccc(cc2N=Nc1ccccc1)c3ccccc3
inchi:
InChI=1/C18H14N2O.Na/c21-18-12-11-15(14-7-3-1-4-8-14)13-17(18)20-19-16-9-5-2-6-10-16;/h1-13,21H;/q;+1/p-1


name: Triethylammonium (3-acetamidophenyl)dithiocarbamate
cas: 63467-76-5
dtxsid: DTXSID0069888
formula: C9H10N2OS2
inchikey: UOCUCTZLFULNNO-UHFFFAOYSA-N
norman_susdat_id: NS00054879
pubchem_cid: NA
smiles: O=C(NC=1C=CC=C(C1)NC(=S)[S-])C.CC[NH+](CC)CC
inchi:
InChI=1/C9H10N2OS2.C6H15N/c1-6(12)10-7-3-2-4-8(5-7)11-9(13)14;1-4-7(5-2)6-3/h2-5H,1H3,(H,10,12)(H2,11,13,14);4-6H2,1-3H3


name: 3-ethyl-2-[4-(phenylamino)buta-1,3-dienyl]benzoxazolium iodide
cas: 63467-92-5
dtxsid: DTXSID00886609
formula: C19H19N2O
inchikey: RQFWLOHMZWLHAQ-UHFFFAOYSA-N
norman_susdat_id: NS00055741
pubchem_cid: NA
smiles: [I-].O1C=2C=CC=CC2[N+](=C1C=CC=CNC=3C=CC=CC3)CC
inchi:
InChI=1/C19H18N2O.HI/c1-2-21-17-12-6-7-13-18(17)22-19(21)14-8-9-15-20-16-10-4-3-5-11-16;/h3-15H,2H2,1H3;1H


name: N,N',3-triphenylcarbazamidine
cas: 63467-95-8
dtxsid: DTXSID30979699
formula: C19H18N4
inchikey: IIKIDHJZPRTCEK-UHFFFAOYSA-N
norman_susdat_id: NS00054822
pubchem_cid: NA
smiles: N(C=1C=CC=CC1)=C(NNC=2C=CC=CC2)NC=3C=CC=CC3
inchi:
InChI=1/C19H18N4/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)23-22-18-14-8-3-9-15-18/h1-15,22H,(H2,20,21,23)


name: Propanoic acid, 3-ethoxy-3-[(4-nitrophenyl)imino]-, ethyl ester
cas: 63468-27-9
chemspiderid: 100995
dtxsid: DTXSID4069892
formula: C13H16N2O5
inchikey: ZJGJNPAVJZSQLA-UHFFFAOYSA-N
norman_susdat_id: NS00035473
pubchem_cid: 112681
smiles: CCOC(=O)CC(=Nc1ccc(cc1)[N+](=O)[O-])OCC
inchi:
InChI=1S/C13H16N2O5/c1-3-19-12(9-13(16)20-4-2)14-10-5-7-11(8-6-10)15(17)18/h5-8H,3-4,9H2,1-2H3/b14-12-


name: 4-(ethoxycarbonyl)benzenediazonium sulphate (2:1)
cas: 63468-98-4
dtxsid: DTXSID6069907
formula: C9H9N2O2
inchikey: LSBDKNBWPTVSIS-UHFFFAOYSA-L
norman_susdat_id: NS00054839
pubchem_cid: 113294
smiles: N#[N+]C1=CC=C(C=C1)C(=O)OCC.N#[N+]C1=CC=C(C=C1)C(=O)OCC.O=S(=O)([O-])[O-]
inchi:
InChI=1/2C9H9N2O2.H2O4S/c2*1-2-13-9(12)7-3-5-8(11-10)6-4-7;1-5(2,3)4/h2*3-6H,2H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2


name: 3',6'-dihydroxy-5-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one hydrochloride
cas: 63469-13-6
formula: C21H11NO5S.ClH
inchikey: VEOKINNSACYXAM-UHFFFAOYSA-N
norman_susdat_id: NS00088040
smiles: Cl.Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N=C=S)c1
inchi:
InChI=1/C21H11NO5S.ClH/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21;/h1-9,23-24H;1H


name: Apalcillin
cas: 63469-19-2
chemspiderid: 97069
formula: C25H23N5O6S1
inchikey: XMQVYNAURODYCQ-YSDJCIHPSA-N
norman_susdat_id: NS00010169
pubchem_cid: 107947
smiles: CC1(C)S[C@@H]2C(NC(=O)[C@H](NC(=O)c3c[nH]c4cccnc4c3=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O
inchi:
InChI=1S/C25H23N5O6S/c1-25(2)19(24(35)36)30-22(34)17(23(30)37-25)29-21(33)15(12-7-4-3-5-8-12)28-20(32)13-11-27-14-9-6-10-26-16(14)18(13)31/h3-11,15,17,19,23H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,35,36)/t15-,17?,19+,23-/m1/s1


name: 2-methoxy-N-[2-nitro-5-(phenylthio)phenyl]acetamide
cas: 63470-85-9
chemspiderid: 2285171
formula: C15H14N2O4S1
inchikey: LBHWUDRAIQBYHH-UHFFFAOYSA-N
norman_susdat_id: NS00007172
pubchem_cid: 3017426
smiles: COCC(=O)Nc1cc(Sc2ccccc2)ccc1[N+]([O-])=O
inchi:
InChI=1S/C15H14N2O4S/c1-21-10-15(18)16-13-9-12(7-8-14(13)17(19)20)22-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,18)


name: (E)-(diphenylmethyl)[3-(2-ethoxy-5-prop-1-enylphenoxy)-2-hydroxypropyl]ammonium chloride
cas: 63476-94-8
formula: C27H31NO3
inchikey: HGRCRELSKYMKFM-KODGKZAJSA-N
norman_susdat_id: NS00054422
pubchem_cid: 3017429
smiles: [Cl-].OC(COC1=CC(=CC=C1OCC)C=CC)C[NH2+]C(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C27H31NO3.ClH/c1-3-11-21-16-17-25(30-4-2)26(18-21)31-20-24(29)19-28-27(22-12-7-5-8-13-22)23-14-9-6-10-15-23;/h3,5-18,24,27-29H,4,19-20H2,1-2H3;1H


name: tiapride-N-oxide
cas: 63484-11-7
chemspiderid: 48054748
formula: C15H24N2O5S1
inchikey: HQQARYRCDMYLHW-UHFFFAOYSA-N
norman_susdat_id: NS00040777
pubchem_cid: 76974706
smiles: CC[N+]([O-])(CC)CCNC(=O)c1cc(ccc1OC)S(C)(=O)=O
inchi:
InChI=1S/C15H24N2O5S/c1-5-17(19,6-2)10-9-16-15(18)13-11-12(23(4,20)21)7-8-14(13)22-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)


name: 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)glutaric acid
cas: 6349-98-0
chebiid: CHEBI:166549
dtxsid: DTXSID80884264
formula: C13H11NO6
inchikey: FEFFSKLJNYRHQN-UHFFFAOYSA-N
norman_susdat_id: NS00043803
pubchem_cid: 92225
smiles: O=C(O)CCC(C(=O)O)N1C(=O)C=2C=CC=CC2C1=O
inchi:
InChI=1/C13H11NO6/c15-10(16)6-5-9(13(19)20)14-11(17)7-3-1-2-4-8(7)12(14)18/h1-4,9H,5-6H2,(H,15,16)(H,19,20)


name: Censavudine
cas: 634907-30-5
dtxsid: DTXSID50212893
formula: C12H12N2O4
inchikey: OSYWBJSVKUFFSU-SKDRFNHKSA-N
norman_susdat_id: NS00069318
pubchem_cid: 3008897
smiles: C#C[C@@]1(CO)C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1
inchi:
InChI=1S/C12H12N2O4/c1-3-12(7-15)5-4-9(18-12)14-6-8(2)10(16)13-11(14)17/h1,4-6,9,15H,7H2,2H3,(H,13,16,17)/t9-,12+/m1/s1


cas: 63494-80-4
dtxsid: DTXSID90886613
formula: C20H14O10S2
inchikey: BEORDIWGKSLKRP-UHFFFAOYSA-L
norman_susdat_id: NS00055759
pubchem_cid: NA
smiles: [H+].[Ca+2].O=C([O-])C1=CC=CC(=C1)C(=C2C=CC(=O)C(=C2)S(=O)(=O)[O-])C3=CC=C(O)C(=C3)S(=O)(=O)[O-]
name:
Calcium hydrogen 3-[(4-hydroxy-3-sulphonatophenyl)(4-oxo-3-sulphonato-2,5-cyclohexadien-1-ylidene)methyl]benzoate

inchi:
InChI=1/C20H14O10S2.Ca.H2/c21-15-6-4-12(9-17(15)31(25,26)27)19(11-2-1-3-14(8-11)20(23)24)13-5-7-16(22)18(10-13)32(28,29)30;;/h1-10,21H,(H,23,24)(H,25,26,27)(H,28,29,30);;1H/q;+2;+1/p-3


name: Pamaquine
cas: 635-05-2
chebiid: CHEBI:135350
formula: C19H29N3O
inchikey: QTQWMSOQOSJFBV-UHFFFAOYSA-N
norman_susdat_id: NS00041611
pubchem_cid: 10290
smiles: N=1C=CC=C2C=C(OC)C=C(NC(C)CCCN(CC)CC)C12
inchi:
InChI=1/C19H29N3O/c1-5-22(6-2)12-8-9-15(3)21-18-14-17(23-4)13-16-10-7-11-20-19(16)18/h7,10-11,13-15,21H,5-6,8-9,12H2,1-4H3


name: Menthol, triester with orthoboric acid
cas: 635-20-1
formula: C30H57BO3
inchikey: APDCUDTVQNGARJ-UHFFFAOYSA-N
norman_susdat_id: NS00042005
pubchem_cid: 4452360
smiles: O(B(OC1CC(C)CCC1C(C)C)OC2CC(C)CCC2C(C)C)C3CC(C)CCC3C(C)C
inchi:
InChI=1/C30H57BO3/c1-19(2)25-13-10-22(7)16-28(25)32-31(33-29-17-23(8)11-14-26(29)20(3)4)34-30-18-24(9)12-15-27(30)21(5)6/h19-30H,10-18H2,1-9H3


name: 3-methyl-2-phenylvaleroyl 1-methyl-4-piperidyl fumarate
cas: 635-32-5
formula: C22H29NO5
inchikey: NSUBNYZSJGLUCC-ZHACJKMWSA-N
norman_susdat_id: NS00042006
pubchem_cid: 6446441
smiles: O=C(OC(=O)C(C=1C=CC=CC1)C(C)CC)C=CC(=O)OC2CCN(C)CC2
inchi:
InChI=1/C22H29NO5/c1-4-16(2)21(17-8-6-5-7-9-17)22(26)28-20(25)11-10-19(24)27-18-12-14-23(3)15-13-18/h5-11,16,18,21H,4,12-15H2,1-3H3


name: Bilirubin
cas: 635-65-4
chebiid: CHEBI:16990
chemspiderid: 4444055
formula: C33H36N4O6
inchikey: BPYKTIZUTYGOLE-IFADSCNNSA-N
norman_susdat_id: NS00014797
pubchem_cid: 5280352
smiles: CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/C=C4/C(=C(C(=O)N4)C=C)C
inchi:
InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-


name: (S)-3-amino-4-(2-naphthylamino)-4-oxobutyric acid
cas: 635-91-6
chebiid: CHEBI:90425
dtxsid: DTXSID40979721
formula: C14H14N2O3
inchikey: YRMVHTZHFWHHIU-LBPRGKRZSA-N
norman_susdat_id: NS00041641
pubchem_cid: NA
smiles: O=C(O)CC(N)C(=O)NC=1C=CC=2C=CC=CC2C1
inchi:
InChI=1/C14H14N2O3/c15-12(8-13(17)18)14(19)16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,15H2,(H,16,19)(H,17,18)


name: Naphthyl-alpha-L-fucoside
cas: 63503-05-9
chebiid: CHEBI:90252
chemspiderid: 4956937
dtxsid: DTXSID80212907
formula: C16H18O5
inchikey: HFJUQSUBZOKELZ-FITDYDNJSA-N
norman_susdat_id: NS00035481
pubchem_cid: 6454626
smiles: C[C@@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@@H](O)[C@H](O)[C@@H]1O
inchi:
InChI=1S/C16H18O5/c1-9-13(17)14(18)15(19)16(20-9)21-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13-19H,1H3/t9-,13+,14+,15-,16-/m0/s1


cas: 63503-96-8
formula: C24H18N4O9S3.3Na
inchikey: NHAWFFHXPBQVFQ-FWMLTEASSA-K
norman_susdat_id: NS00088041
name:
Trisodium 2-[4-[2-(4-amino-2-sulphonatophenyl)vinyl]-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-5-sulphonate

inchi:
InChI=1/C24H18N4O9S3.3Na/c25-16-9-7-14(21(11-16)38(29,30)31)5-6-15-8-10-17(12-22(15)39(32,33)34)28-26-20-13-23(40(35,36)37)18-3-1-2-4-19(18)24(20)27-28;;;/h1-13H,25H2,(H,29,30,31)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].Nc1ccc(\C=C\c2ccc(cc2S(=O)(=O)[O-])n3nc4cc(c5ccccc5c4n3)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-]


name: 5-chloro-3-ethyl-2-methylbenzoxazolium p-toluenesulphonate
cas: 63512-20-9
dtxsid: DTXSID0069915
formula: C10H11ClNO
inchikey: JHXRZBGGUAYINO-UHFFFAOYSA-M
norman_susdat_id: NS00054841
pubchem_cid: 113308
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.ClC=1C=CC=2OC(=[N+](C2C1)CC)C
inchi:
InChI=1/C10H11ClNO.C7H8O3S/c1-3-12-7(2)13-10-5-4-8(11)6-9(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 3-methyl-2-[2-piperidinovinyl]benzothiazolium chloride
cas: 63512-55-0
dtxsid: DTXSID70886616
formula: C15H19N2S
inchikey: IISUOAKTJZTCTI-UHFFFAOYSA-M
norman_susdat_id: NS00054886
pubchem_cid: NA
smiles: [Cl-].S1C=2C=CC=CC2[N+](=C1C=CN3CCCCC3)C
inchi:
InChI=1/C15H19N2S.ClH/c1-16-13-7-3-4-8-14(13)18-15(16)9-12-17-10-5-2-6-11-17;/h3-4,7-9,12H,2,5-6,10-11H2,1H3;1H/q+1;/p-1


name: 1-(3-hydroxypropyl)-2-methylquinolinium iodide
cas: 63512-61-8
dtxsid: DTXSID90886618
formula: C13H16NO
inchikey: DJZYJYIQOORGLQ-UHFFFAOYSA-M
norman_susdat_id: NS00054489
pubchem_cid: 113318
smiles: [I-].OCCC[N+]=1C=2C=CC=CC2C=CC1C
inchi:
InChI=1/C13H16NO.HI/c1-11-7-8-12-5-2-3-6-13(12)14(11)9-4-10-15;/h2-3,5-8,15H,4,9-10H2,1H3;1H/q+1;/p-1


name: Diisononylnaphthalene
cas: 63512-64-1
dtxsid: DTXSID0028119
formula: C28H44
inchikey: ULFCXONFZSPCEM-UHFFFAOYSA-N
norman_susdat_id: NS00054887
pubchem_cid: NA
smiles: C=1C=C(C=C2C=C(C=CC12)CCCCCCC(C)C)CCCCCCC(C)C
inchi:
InChI=1/C28H44/c1-23(2)13-9-5-7-11-15-25-17-19-27-20-18-26(22-28(27)21-25)16-12-8-6-10-14-24(3)4/h17-24H,5-16H2,1-4H3


name: [[4-[(Heptadecafluorononenyl)oxy]phenyl]methyl]phosphonic acid
cas: 63513-12-2
chemspiderid: NA
dtxsid: DTXSID20881313
formula: C16H8F17O4P1
inchikey: AIOYDPRIRKONCK-UHFFFAOYSA-N
norman_susdat_id: NS00019170
pubchem_cid: 53644836
smiles: OP(O)(=O)CC1=CC=C(OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C16H8F17O4P/c17-8(9(18)37-7-3-1-6(2-4-7)5-38(34,35)36)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h1-4H,5H2,(H2,34,35,36)/b9-8+


cas: 63521-15-3
formula: C18H15Cl2N5O5S3.Na
inchikey: KPHCAENKLGZHCB-MIRNQTQTSA-M
norman_susdat_id: NS00088080
smiles: [Na+].Cc1nnc(SCC2=C(N3[C@@H](SC2)[C@@H](NC(=O)CN4C=C(Cl)C(=O)C(=C4)Cl)C3=O)C(=O)[O-])s1
name:
Sodium (6R-trans)-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridyl)acetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1/C18H15Cl2N5O5S3.Na/c1-7-22-23-18(33-7)32-6-8-5-31-16-12(15(28)25(16)13(8)17(29)30)21-11(26)4-24-2-9(19)14(27)10(20)3-24;/h2-3,12,16H,4-6H2,1H3,(H,21,26)(H,29,30);/q;+1/p-1


name: Esorubicin
cas: 63521-85-7
chemspiderid: 134001
formula: C27H29N1O10
inchikey: ITSGNOIFAJAQHJ-BMFNZSJVSA-N
norman_susdat_id: NS00011911
pubchem_cid: 152036
smiles: C[C@H]1C[C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N
inchi:
InChI=1S/C27H29NO10/c1-11-6-12(28)7-18(37-11)38-16-9-27(35,17(30)10-29)8-14-20(16)26(34)22-21(24(14)32)23(31)13-4-3-5-15(36-2)19(13)25(22)33/h3-5,11-12,16,18,29,32,34-35H,6-10,28H2,1-2H3/t11-,12+,16-,18-,27-/m0/s1


name: Cefotaxime
cas: 63527-52-6
chemspiderid: 4586392
dtxsid: DTXSID6022761
formula: C16H17N5O7S2
inchikey: GPRBEKHLDVQUJE-VINNURBNSA-N
norman_susdat_id: NS00000104
pubchem_cid: 5479527
smiles: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)O
inchi:
InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1


name: Asebotoxin VI
cas: 63529-01-1
chemspiderid: 101316885
formula: C23H38O8
inchikey: ZWCNTMXQECMWTB-HGAVMHFCSA-N
norman_susdat_id: NS00093912
smiles:
CCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C[C@@H](C2(C)C)O)[C@]([C@H]3[C@@]14C[C@@]([C@@H]([C@H]4O)CC3)(C)O)(C)O)O)O


name: 2,4,9,11-tetrabromodibenzo[a,h]phenazine-1,8-diol
cas: 63537-67-7
dtxsid: DTXSID20979749
formula: C20H8Br4N2O2
inchikey: DZGFRQHKGWYVBY-UHFFFAOYSA-N
norman_susdat_id: NS00055825
pubchem_cid: NA
smiles: BrC=1C=C(Br)C=2C=CC=3N=C4C(=NC3C2C1O)C=CC5=C(Br)C=C(Br)C(O)=C45
inchi:
InChI=1/C20H8Br4N2O2/c21-9-5-11(23)19(27)15-7(9)1-3-13-17(15)26-14-4-2-8-10(22)6-12(24)20(28)16(8)18(14)25-13/h1-6,27-28H


cas: 63543-86-2
dtxsid: DTXSID40889816
formula: C35H28N6O12S3
inchikey: ZLYCTBKZFLWFEV-FBFWOGEFSA-K
norman_susdat_id: NS00055826
pubchem_cid: NA
name:
Trisodium 2-[4-[2-[4-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-2-sulphonatophenyl]vinyl]-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-5-sulphonate

inchi:
InChI=1/C35H28N6O12S3.3Na/c1-20(42)33(35(43)36-27-9-5-6-10-29(27)53-2)38-37-23-15-13-21(30(17-23)54(44,45)46)11-12-22-14-16-24(18-31(22)55(47,48)49)41-39-28-19-32(56(50,51)52)25-7-3-4-8-26(25)34(28)40-41;;;/h3-19,33H,1-2H3,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC=1C=CC=CC1OC)C(N=NC2=CC=C(C=CC3=CC=C(C=C3S(=O)(=O)[O-])N4N=C5C=C(C6=CC=CC=C6C5=N4)S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-])C(=O)C


name: Adrafinil
cas: 63547-13-7
chebiid: CHEBI:135200
chemspiderid: 2297976
dtxsid: DTXSID4046498
formula: C15H15N1O3S1
inchikey: CGNMLOKEMNBUAI-UHFFFAOYSA-N
norman_susdat_id: NS00007283
pubchem_cid: 3033226
smiles: ON=C(O)CS(=O)C(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)


cas: 63549-43-9
chemspiderid: 101574
dtxsid: DTXSID8069933
formula: C31H34N2O8S2
inchikey: QIVGPQXLZYCSEP-UHFFFAOYSA-N
norman_susdat_id: NS00035487
pubchem_cid: 113338
smiles: Oc1c2CCCN3CCCc(cc1C(c1cc4c5N(CCC4)CCCc5c1O)c1c(cc(cc1)S(=O)(=O)O)S(=O)(=O)O)c23
name:
1,3-Benzenedisulfonic acid, 4-[bis(2,3,6,7-tetrahydro-8-hydroxy-1H,5H-benzo[ij]quinolizin-9-yl)methyl]-

inchi:
InChI=1S/C31H34N2O8S2/c34-30-22-7-3-13-32-11-1-5-18(28(22)32)15-24(30)27(21-10-9-20(42(36,37)38)17-26(21)43(39,40)41)25-16-19-6-2-12-33-14-4-8-23(29(19)33)31(25)35/h9-10,15-17,27,34-35H,1-8,11-14H2,(H,36,37,38)(H,39,40,41)


name: 1H-1,2,4-Triazol-3-amine, 4,5-dihydro-N,1,4-triphenyl-
cas: 63549-51-9
chemspiderid: 83013
dtxsid: DTXSID3069934
formula: C20H18N4
inchikey: PZJZKXQHZCCGQN-UHFFFAOYSA-N
norman_susdat_id: NS00035488
pubchem_cid: 91935
smiles: C1N(N=C(Nc2ccccc2)N1c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H18N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-15H,16H2,(H,21,22)


name: 6-amino-4-hydroxy-3-[(4-nitro-2-sulphophenyl)azo]naphthalene-2-sulphonic acid
cas: 63555-89-5
formula: C16H13N4O9S2
inchikey: LAYOWTLJFUTGSO-UHFFFAOYSA-N
norman_susdat_id: NS00055827
pubchem_cid: 135571066
smiles: O=[N+]([O-])C1=CC=C(N=NC=2C(O)=C3C=C(N)C=CC3=CC2S(=O)(=O)O)C(=C1)S(=O)(=O)O
inchi:
InChI=1/C16H12N4O9S2/c17-9-2-1-8-5-14(31(27,28)29)15(16(21)11(8)6-9)19-18-12-4-3-10(20(22)23)7-13(12)30(24,25)26/h1-7,21H,17H2,(H,24,25,26)(H,27,28,29)


name: Sodium N-(2-hydroxyethyl)-N-[2-[(1-oxotetradecyl)amino]ethyl]glycinate
cas: 63556-21-8
dtxsid: DTXSID3069936
formula: C20H40N2O4
inchikey: IDXHDUOOTUFFOX-UHFFFAOYSA-M
norman_susdat_id: NS00054888
pubchem_cid: 113341
smiles: [Na+].O=C([O-])CN(CCO)CCNC(=O)CCCCCCCCCCCCC
inchi:
InChI=1/C20H40N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(24)21-14-15-22(16-17-23)18-20(25)26;/h23H,2-18H2,1H3,(H,21,24)(H,25,26);/q;+1/p-1


cas: 63561-42-2
chebiid: CHEBI:52311
formula: C26H26F3N2O
inchikey: HTNRBNPBWAFIKA-UHFFFAOYSA-M
norman_susdat_id: NS00054492
pubchem_cid: 25229602
smiles: O=Cl(=O)(=O)[O-].FC(F)(F)C=1C=2C=C3C4=C(C2[O+]=C5C1C=C6C7=C5CCCN7CCC6)CCCN4CCC3
name:
2,3,6,7,12,13,16,17-octahydro-9-(trifluoromethyl)-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium perchlorate

inchi:
InChI=1/C26H26F3N2O.ClHO4/c27-26(28,29)21-19-13-15-5-1-9-30-11-3-7-17(22(15)30)24(19)32-25-18-8-4-12-31-10-2-6-16(23(18)31)14-20(21)25;2-1(3,4)5/h13-14H,1-12H2;(H,2,3,4,5)/q+1;/p-1


name: Butanedioic acid, 2-[(6-oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]-
cas: 63562-33-4
chemspiderid: 4956959
dtxsid: DTXSID00886624
formula: C17H15O6P1
inchikey: XZAXQWXHBDKYJI-UHFFFAOYSA-N
norman_susdat_id: NS00006764
pubchem_cid: 6454648
smiles: OC(=O)CC(CP1(=O)Oc2ccccc2-c2ccccc12)C(O)=O
inchi:
InChI=1S/C17H15O6P/c18-16(19)9-11(17(20)21)10-24(22)15-8-4-2-6-13(15)12-5-1-3-7-14(12)23-24/h1-8,11H,9-10H2,(H,18,19)(H,20,21)


cas: 63562-34-5
chemspiderid: 101006
dtxsid: DTXSID60886625
formula: C21H23O8P1
inchikey: MJOBQUIJUFKMPR-UHFFFAOYSA-N
norman_susdat_id: NS00007274
pubchem_cid: 112694
smiles: OCCOC(=O)CC(CP1(=O)Oc2ccccc2-c2ccccc12)C(=O)OCCO
name:
Butanedioic acid, 2-[(6-oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]-, 1,4-bis(2-hydroxyethyl) ester

inchi:
InChI=1S/C21H23O8P/c22-9-11-27-20(24)13-15(21(25)28-12-10-23)14-30(26)19-8-4-2-6-17(19)16-5-1-3-7-18(16)29-30/h1-8,15,22-23H,9-14H2


name: CARPESIOLIN
cas: 63568-73-0
chemspiderid: 8191236
dtxsid: DTXSID50315530
formula: C15H20O4
inchikey: IOUNDPHKKPZPKB-UHFFFAOYSA-N
norman_susdat_id: NS00094728
pubchem_cid: 10015663
smiles: CC1CC2OC(=O)C(=C)C2C(O)C2(C)C1CCC2=O
inchi:
InChI=1S/C15H20O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h7,9-10,12-13,17H,2,4-6H2,1,3H3


name: Methyl (16a,1ß,19a)-17-methoxy-19-methyloxayohimban-16-carboxylate
cas: 63569-19-7
formula: C22H28N2O4
inchikey: IXOBRDZTISLXQS-AMNPBPSFSA-N
norman_susdat_id: NS00055828
pubchem_cid: NA
smiles: O=C(OC)C1C(OC)OC(C)C2CN3CCC=4C=5C=CC=CC5NC4C3CC12
inchi:
InChI=1/C22H28N2O4/c1-12-16-11-24-9-8-14-13-6-4-5-7-17(13)23-20(14)18(24)10-15(16)19(21(25)26-2)22(27-3)28-12/h4-7,12,15-16,18-19,22-23H,8-11H2,1-3H3


cas: 63573-38-6
dtxsid: DTXSID50886295
formula: C37H50ClN3O6S
inchikey: NEKBHBOLMRWRBT-UHFFFAOYSA-N
norman_susdat_id: NS00054964
pubchem_cid: 112695
smiles: O=C(NC1=CC(Cl)=C(C=C1O)NC(=O)C(OC2=CC=C(C=C2)NS(=O)(=O)CCCC)CCCCCCCCCCCC)C=3C=CC=CC3
name:
N-[4-[[2-[4-[(butylsulphonyl)amino]phenoxy]-1-oxotetradecyl]amino]-5-chloro-2-hydroxyphenyl]benzamide

inchi:
InChI=1/C37H50ClN3O6S/c1-3-5-7-8-9-10-11-12-13-17-20-35(47-30-23-21-29(22-24-30)41-48(45,46)25-6-4-2)37(44)39-32-27-34(42)33(26-31(32)38)40-36(43)28-18-15-14-16-19-28/h14-16,18-19,21-24,26-27,35,41-42H,3-13,17,20,25H2,1-2H3,(H,39,44)(H,40,43)


name: 2-[4-[(butylsulphonyl)amino]phenoxy]tetradecanoic acid
cas: 63573-57-9
dtxsid: DTXSID10886296
formula: C24H41NO5S
inchikey: VBTORCSBKALMIO-UHFFFAOYSA-N
norman_susdat_id: NS00054889
pubchem_cid: 112696
smiles: O=C(O)C(OC1=CC=C(C=C1)NS(=O)(=O)CCCC)CCCCCCCCCCCC
inchi:
InChI=1/C24H41NO5S/c1-3-5-7-8-9-10-11-12-13-14-15-23(24(26)27)30-22-18-16-21(17-19-22)25-31(28,29)20-6-4-2/h16-19,23,25H,3-15,20H2,1-2H3,(H,26,27)


name: Phenol, 4-[(9-ethyl-9H-carbazol-3-yl)amino]-
cas: 6358-26-5
chemspiderid: 72863
dtxsid: DTXSID0064250
formula: C20H18N2O1
inchikey: HJAHTYAEYAVPTB-UHFFFAOYSA-N
norman_susdat_id: NS00035496
pubchem_cid: 80678
smiles: CCn1c2ccc(Nc3ccc(O)cc3)cc2c2c1cccc2
inchi:
InChI=1S/C20H18N2O/c1-2-22-19-6-4-3-5-17(19)18-13-15(9-12-20(18)22)21-14-7-10-16(23)11-8-14/h3-13,21,23H,2H2,1H3


cas: 6358-29-8
dtxsid: DTXSID8025204
formula: C32H28N4O8S2
inchikey: SLZCDQVDTBWJND-UHFFFAOYSA-L
norman_susdat_id: NS00043278
pubchem_cid: 22828
name:
Disodium 8-[[4'-[(4-ethoxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-7-hydroxynaphthalene-1,3-disulphonate

inchi:
InChI=1/C32H28N4O8S2.2Na/c1-4-44-25-10-8-24(9-11-25)33-34-27-12-5-21(15-19(27)2)22-6-13-28(20(3)16-22)35-36-32-29(37)14-7-23-17-26(45(38,39)40)18-30(31(23)32)46(41,42)43;;/h5-18,37H,4H2,1-3H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(O)C(N=NC3=CC=C(C=C3C)C=4C=CC(N=NC5=CC=C(OCC)C=C5)=C(C4)C)=C2C(=C1)S(=O)(=O)[O-]


name: C.I. Pigment Violet 23
cas: 6358-30-1
chemspiderid: 55316
dtxsid: DTXSID2036293
formula: C34H22Cl2N4O2
inchikey: CGLVZFOCZLHKOH-UHFFFAOYSA-N
norman_susdat_id: NS00003789
pubchem_cid: 61387
smiles: CCn1c2ccccc2c2cc3N=c4c(Cl)c5Oc6cc7n(CC)c8ccccc8c7cc6N=c5c(Cl)c4Oc3cc12
inchi:
InChI=1S/C34H22Cl2N4O2/c1-3-39-23-11-7-5-9-17(23)19-13-21-27(15-25(19)39)41-33-29(35)32-34(30(36)31(33)37-21)42-28-16-26-20(14-22(28)38-32)18-10-6-8-12-24(18)40(26)4-2/h5-16H,3-4H2,1-2H3


name: C.I. Pigment Yellow 74
cas: 6358-31-2
chemspiderid: 21397
dtxsid: DTXSID7025920
formula: C18H18N4O6
inchikey: ZTISORAUJJGACZ-UHFFFAOYSA-N
norman_susdat_id: NS00009722
pubchem_cid: 22829
smiles: COc1ccccc1NC(=O)C(N=Nc1ccc(cc1OC)[N+]([O-])=O)C(C)=O
inchi:
InChI=1S/C18H18N4O6/c1-11(23)17(18(24)19-13-6-4-5-7-15(13)27-2)21-20-14-9-8-12(22(25)26)10-16(14)28-3/h4-10,17H,1-3H3,(H,19,24)


name: 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride
cas: 6358-36-7
formula: C21H29N3.ClH
inchikey: LQVYCDPEZPBOMT-UHFFFAOYSA-N
norman_susdat_id: NS00080902
smiles: Cl.CCN(CC)c1ccc(cc1)C(=N)c2ccc(cc2)N(CC)CC
inchi:
InChI=1/C21H29N3.ClH/c1-5-23(6-2)19-13-9-17(10-14-19)21(22)18-11-15-20(16-12-18)24(7-3)8-4;/h9-16,22H,5-8H2,1-4H3;1H


cas: 6358-37-8
chemspiderid: 99473
dtxsid: DTXSID90863747
formula: C34H30Cl2N6O4
inchikey: UCUHCYVCVYRSER-UHFFFAOYSA-N
norman_susdat_id: NS00001900
pubchem_cid: 110824
smiles: CC(=O)C(N=Nc1ccc(cc1Cl)-c1ccc(N=NC(C(C)=O)C(=O)Nc2ccc(C)cc2)c(Cl)c1)C(=O)Nc1ccc(C)cc1
name:
Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(4-methylphenyl)-3-oxo-

inchi:
InChI=1S/C34H30Cl2N6O4/c1-19-5-11-25(12-6-19)37-33(45)31(21(3)43)41-39-29-15-9-23(17-27(29)35)24-10-16-30(28(36)18-24)40-42-32(22(4)44)34(46)38-26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)


name: Disodium 4-hydroxy-3-[(o-tolyl)azo]-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate
cas: 6358-43-6
formula: C24H21N3O9S3
inchikey: GCUHLYDQBADSHR-UHFFFAOYSA-L
norman_susdat_id: NS00043805
pubchem_cid: 135755590
inchi:
InChI=1/C24H21N3O9S3.2Na/c1-14-7-9-17(10-8-14)37(29,30)27-20-13-18(38(31,32)33)11-16-12-21(39(34,35)36)23(24(28)22(16)20)26-25-19-6-4-3-5-15(19)2;;/h3-13,27-28H,1-2H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C=CC=CC3C)C(O)=C2C(=C1)NS(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)[O-]


name: 4-[[4-(benzoylamino)-2,5-dimethoxyphenyl]azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
cas: 6358-46-9
formula: C32H26N4O5
inchikey: KUJZBPJNEJUENO-UHFFFAOYSA-N
norman_susdat_id: NS00044315
pubchem_cid: NA
smiles: O=C(NC1=CC(OC)=C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC=4C=CC=CC4)C=C1OC)C=5C=CC=CC5
inchi:
InChI=1/C32H26N4O5/c1-40-27-19-26(28(41-2)18-25(27)34-31(38)20-11-5-3-6-12-20)35-36-29-23-16-10-9-13-21(23)17-24(30(29)37)32(39)33-22-14-7-4-8-15-22/h3-19,37H,1-2H3,(H,33,39)(H,34,38)


name: 3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-(3-nitrophenyl)naphthalene-2-carboxamide
cas: 6358-47-0
formula: C24H19N5O6
inchikey: VOQHKBYZRLXPBY-UHFFFAOYSA-N
norman_susdat_id: NS00043873
pubchem_cid: 80683
smiles: O=C(NC1=CC=CC(=C1)[N+](=O)[O-])C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4C)[N+](=O)[O-])=C2O
inchi:
InChI=1/C24H17N5O6/c1-14-9-10-18(29(34)35)13-21(14)26-27-22-19-8-3-2-5-15(19)11-20(23(22)30)24(31)25-16-6-4-7-17(12-16)28(32)33/h2-13,30H,1H3,(H,25,31)


name: 4-[(2,5-dichlorophenyl)azo]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
cas: 6358-48-1
formula: C25H19Cl2N3O3
inchikey: UVVPXDIKEOWIMC-UHFFFAOYSA-N
norman_susdat_id: NS00043279
pubchem_cid: 80684
smiles: O=C(NC=1C=CC=CC1OCC)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=CC=C4Cl)=C2O
inchi:
InChI=1/C25H19Cl2N3O3/c1-2-33-22-10-6-5-9-20(22)28-25(32)18-13-15-7-3-4-8-17(15)23(24(18)31)30-29-21-14-16(26)11-12-19(21)27/h3-14,31H,2H2,1H3,(H,28,32)


name: C.I. Solvent Red 80
cas: 6358-53-8
chebiid: CHEBI:82306
chemspiderid: 20482964
dtxsid: DTXSID6024838
formula: C18H16N2O3
inchikey: GJUABKCEXOMRPQ-FMQUCBEESA-N
norman_susdat_id: NS00020681
pubchem_cid: NA
smiles: COc1cc(N/N=C/2C(=O)C=Cc3ccccc23)c(OC)cc1
inchi:
InChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,19H,1-2H3/b20-18-


name: Acid Red 111
cas: 6358-57-2
chemspiderid: 7844694
dtxsid: DTXSID3044708
formula: C37H30N4O10S3
inchikey: YFSRRLXAGNGNNQ-WEUAPPMUSA-L
norman_susdat_id: NS00020013
pubchem_cid: NA
inchi:
InChI=1S/C37H30N4O10S3/c1-22-4-12-30(13-5-22)54(49,50)51-29-10-6-26(7-11-29)38-39-27-8-15-32(23(2)18-27)33-16-9-28(19-24(33)3)40-41-36-35(53(46,47)48)21-25-20-31(52(43,44)45)14-17-34(25)37(36)42/h4-21,40H,1-3H3,(H,43,44,45)(H,46,47,48)/b39-38-,41-36-

smiles:
[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)N=Nc1cc(C)c(cc1)c1c(C)cc(N/N=C/2C(=O)c3c(cc(cc3)S(=O)(=O)[O-])C=C2S(=O)(=O)[O-])cc1


name: CI 59040
cas: 6358-69-6
chemspiderid: 55318
formula: C16H10O10S3
inchikey: OBJOZRVSMLPASY-UHFFFAOYSA-N
norman_susdat_id: NS00013521
pubchem_cid: 61389
smiles: [Na+].[Na+].[Na+].Oc1cc(c2ccc3c4c(ccc1c24)c(cc3[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C16H10O10S3.3Na/c17-11-5-12(27(18,19)20)8-3-4-10-14(29(24,25)26)6-13(28(21,22)23)9-2-1-7(11)15(8)16(9)10;;;/h1-6,17H,(H,18,19,20)(H,21,22,23)(H,24,25,26);;;/q;3*+1/p-3


cas: 6358-80-1
dtxsid: DTXSID5064253
formula: C41H32N8O11S3
inchikey: GJRUEHLEWXORDW-UHFFFAOYSA-K
norman_susdat_id: NS00043910
pubchem_cid: 135853650
name:
Trisodium 4-amino-5-hydroxy-3-[[4'-[[4-hydroxy-2-[(o-tolyl)amino]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C41H32N8O11S3.3Na/c1-23-4-2-3-5-32(23)43-34-22-30(50)16-19-33(34)47-44-27-10-6-24(7-11-27)25-8-12-28(13-9-25)45-48-39-35(62(55,56)57)20-26-21-36(63(58,59)60)40(41(51)37(26)38(39)42)49-46-29-14-17-31(18-15-29)61(52,53)54;;;/h2-22,43,50-51H,42H2,1H3,(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([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=C6NC=7C=CC=CC7C)=CC5)C3N)S(=O)(=O)[O-])C=C1


name: 3,3'-[(2-methyl-m-phenylene)bis(azo)]bistoluene-2,6-diamine
cas: 6358-82-3
formula: C21H24N8
inchikey: FGHBXSQNFCBRJJ-UHFFFAOYSA-N
norman_susdat_id: NS00043308
pubchem_cid: 80687
smiles: N(=NC1=CC=CC(N=NC2=CC=C(N)C(=C2N)C)=C1C)C3=CC=C(N)C(=C3N)C
inchi:
InChI=1/C21H24N8/c1-11-14(22)7-9-18(20(11)24)28-26-16-5-4-6-17(13(16)3)27-29-19-10-8-15(23)12(2)21(19)25/h4-10H,22-25H2,1-3H3


name: 1,3-Benzenediamine, 4,4'-[(4-methoxy-1,3-phenylene)bis(azo)]bis-
cas: 6358-83-4
chemspiderid: 21399
dtxsid: DTXSID0064254
formula: C19H20N8O1
inchikey: GYSUSQZGUOGDNB-UHFFFAOYSA-N
norman_susdat_id: NS00021276
pubchem_cid: 22834
smiles: COc1c(cc(cc1)N=Nc1c(N)cc(N)cc1)N=Nc1c(N)cc(N)cc1
inchi:
InChI=1S/C19H20N8O/c1-28-19-7-4-13(24-25-16-5-2-11(20)8-14(16)22)10-18(19)27-26-17-6-3-12(21)9-15(17)23/h2-10H,20-23H2,1H3/b25-24+,27-26-


name: C.I. Pigment Yellow 12
cas: 6358-85-6
chemspiderid: 161985
dtxsid: DTXSID1021451
formula: C32H26Cl2N6O4
inchikey: GNCOVOVCHIHPHP-UHFFFAOYSA-N
norman_susdat_id: NS00009591
pubchem_cid: 186342
smiles: CC(=O)C(N=Nc1ccc(cc1Cl)-c1ccc(N=NC(C(C)=O)C(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1
inchi:
InChI=1S/C32H26Cl2N6O4/c1-19(41)29(31(43)35-23-9-5-3-6-10-23)39-37-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)38-40-30(20(2)42)32(44)36-24-11-7-4-8-12-24/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44)


name: C.I. Pigment Red 38
cas: 6358-87-8
chemspiderid: 85791
dtxsid: DTXSID20863750
formula: C36H28Cl2N8O6
inchikey: PLYDMIIYRWUYBP-UHFFFAOYSA-N
norman_susdat_id: NS00006435
pubchem_cid: 95076
smiles: CCOC(=O)C1=NN(C(=O)C1N=Nc1ccc(cc1Cl)-c1ccc(N=NC2C(=O)N(N=C2C(=O)OCC)c2ccccc2)c(Cl)c1)c1ccccc1
inchi:
InChI=1S/C36H28Cl2N8O6/c1-3-51-35(49)31-29(33(47)45(43-31)23-11-7-5-8-12-23)41-39-27-17-15-21(19-25(27)37)22-16-18-28(26(38)20-22)40-42-30-32(36(50)52-4-2)44-46(34(30)48)24-13-9-6-10-14-24/h5-20,29-30H,3-4H2,1-2H3


name: 2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenylbutyramide]
cas: 6358-88-9
dtxsid: DTXSID60884267
formula: C34H32N6O4
inchikey: XRCLOLLTHNRVRB-UHFFFAOYSA-N
norman_susdat_id: NS00044387
pubchem_cid: 110826
smiles: O=C(NC=1C=CC=CC1)C(N=NC=2C=CC(=CC2C)C3=CC=C(N=NC(C(=O)NC=4C=CC=CC4)C(=O)C)C(=C3)C)C(=O)C
inchi:
InChI=1/C34H32N6O4/c1-21-19-25(15-17-29(21)37-39-31(23(3)41)33(43)35-27-11-7-5-8-12-27)26-16-18-30(22(2)20-26)38-40-32(24(4)42)34(44)36-28-13-9-6-10-14-28/h5-20,31-32H,1-4H3,(H,35,43)(H,36,44)


cas: 6358-90-3
formula: C38H34N8O8
inchikey: XKVXTRFJPVNNQZ-UHFFFAOYSA-N
norman_susdat_id: NS00043309
pubchem_cid: 110827
name:
Diethyl 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate]

inchi:
InChI=1/C38H34N8O8/c1-5-53-37(49)33-31(35(47)45(43-33)25-13-9-7-10-14-25)41-39-27-19-17-23(21-29(27)51-3)24-18-20-28(30(22-24)52-4)40-42-32-34(38(50)54-6-2)44-46(36(32)48)26-15-11-8-12-16-26/h7-22,31-32H,5-6H2,1-4H3

smiles:
O=C(OCC)C1=NN(C(=O)C1N=NC=2C=CC(=CC2OC)C3=CC=C(N=NC4C(=O)N(N=C4C(=O)OCC)C=5C=CC=CC5)C(OC)=C3)C=6C=CC=CC6


name: 8,16-Pyranthrenedione, dibromo-6,14-dichloro-
cas: 63589-04-8
chemspiderid: 143095
dtxsid: DTXSID7069940
formula: C30H10Br2Cl2O2
inchikey: PFKGBHLOPWYCNL-UHFFFAOYSA-N
norman_susdat_id: NS00021277
pubchem_cid: 163014
smiles: Clc1cc2c3c(cc4c(Cl)cc5C(=O)c6c(Br)c(Br)ccc6c6c5c4c3c1c6)c1c(cccc1)C2=O
inchi:
InChI=1S/C30H10Br2Cl2O2/c31-20-6-5-12-15-8-17-21(33)9-18-23-14(11-3-1-2-4-13(11)29(18)35)7-16-22(34)10-19(24(15)26(16)25(17)23)30(36)27(12)28(20)32/h1-10H


name: Sodium 1-amino-4-p-anisidino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
cas: 63589-10-6
formula: C21H16N2O6S.Na
inchikey: UKZVMBMYDRZSBX-UHFFFAOYSA-M
norman_susdat_id: NS00087350
smiles: [Na+].COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1
inchi:
InChI=1/C21H16N2O6S.Na/c1-29-12-8-6-11(7-9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25;/h2-10,23H,22H2,1H3,(H,26,27,28);/q;+1/p-1


name: Disodium 4-[(2,4-dihydroxyphenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate
cas: 63589-22-0
formula: C16H12N2O9S2.2Na
inchikey: KBLGETIFHKVSQU-UHFFFAOYSA-L
norman_susdat_id: NS00087638
smiles: [Na+].[Na+].Oc3cc(O)ccc3N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O
inchi:
InChI=1/C16H12N2O9S2.2Na/c19-9-1-2-12(14(20)5-9)17-18-13-6-10(28(22,23)24)3-8-4-11(29(25,26)27)7-15(21)16(8)13;;/h1-7,19-21H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


name: 2-Anthracenecarboxamide, 4-amino-9,10-dihydro-N-(3-methoxypropyl)-1-nitro-9,10-dioxo-
cas: 63589-26-4
chemspiderid: 4588762
dtxsid: DTXSID1069950
formula: C19H17N3O6
inchikey: LXOWAMNDRCJQED-UHFFFAOYSA-N
norman_susdat_id: NS00035498
pubchem_cid: 5485986
smiles: COCCCNC(=O)c1c(c2c(c(N)c1)C(=O)c1c(cccc1)C2=O)[N+](=O)[O-]
inchi:
InChI=1S/C19H17N3O6/c1-28-8-4-7-21-19(25)12-9-13(20)14-15(16(12)22(26)27)18(24)11-6-3-2-5-10(11)17(14)23/h2-3,5-6,9H,4,7-8,20H2,1H3,(H,21,25)


name: N,N-diethyl-4-(1H-indazol-3-ylazo)aniline
cas: 63589-29-7
dtxsid: DTXSID6069953
formula: NA
inchikey: FKJXEQVPDULPEI-UHFFFAOYSA-N
norman_susdat_id: NS00054951
pubchem_cid: 113372
smiles: CCN(CC)c1ccc(cc1)N=Nc3nnc2ccccc23
inchi:
InChI=1/C17H19N5/c1-3-22(4-2)14-11-9-13(10-12-14)18-20-17-15-7-5-6-8-16(15)19-21-17/h5-12H,3-4H2,1-2H3,(H,19,21)


name: 1H-Indole, 2,3-dihydro-3,3-dimethyl-2-[(2-naphthalenylazo)methylene]-
cas: 63589-30-0
chemspiderid: 101013
dtxsid: DTXSID1069954
formula: C21H19N3
inchikey: HGFPDEVRSZMUMG-UHFFFAOYSA-N
norman_susdat_id: NS00035501
pubchem_cid: NA
smiles: CC1(C)C(=Nc2ccccc12)C=NNc1cc2ccccc2cc1
inchi:
InChI=1S/C21H19N3/c1-21(2)18-9-5-6-10-19(18)23-20(21)14-22-24-17-12-11-15-7-3-4-8-16(15)13-17/h3-14,24H,1-2H3/b22-14+


name: 2-[[4-(dimethylamino)phenyl]azo]-1,3-dimethyl-1H-imidazolium methyl sulphate
cas: 63589-33-3
dtxsid: DTXSID1069956
formula: C13H19N5
inchikey: ZKIDOMMPYLGIQI-UHFFFAOYSA-N
norman_susdat_id: NS00055002
pubchem_cid: 3023151
smiles: O=S(=O)([O-])OC.N(=NC1N(C=C[NH+]1C)C)C2=CC=C(C=C2)N(C)C
inchi:
InChI=1/C13H19N5.CH4O4S/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-5-6(2,3)4/h5-10,13H,1-4H3;1H3,(H,2,3,4)


name: 3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1)
cas: 63589-47-9
formula: C20H26N3O.1/2Cl4Zn
inchikey: ADMXOBZMMQYVKF-UHFFFAOYSA-J
norman_susdat_id: NS00087652
smiles: CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.CCN(CC)c4ccc5nc6ccc(cc6[o+]c5c4)N(CC)CC.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C20H26N3O.4ClH.Zn/c2*1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;;;;;/h2*9-14H,5-8H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4/r2C20H26N3O.Cl4Zn/c2*1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;1-5(2,3)4/h2*9-14H,5-8H2,1-4H3;/q2*+1;-2


name: Potassium ethyl o-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
cas: 6359-05-3
formula: C22H12Br4O5
inchikey: SQLYYENAJNILOX-UHFFFAOYSA-N
norman_susdat_id: NS00043328
pubchem_cid: 80689
smiles: O=C(OCC)C=1C=CC=CC1C2=C3C=C(Br)C(=O)C(Br)=C3OC=4C(Br)=C(O)C(Br)=CC42
inchi:
InChI=1/C22H12Br4O5/c1-2-30-22(29)10-6-4-3-5-9(10)15-11-7-13(23)18(27)16(25)20(11)31-21-12(15)8-14(24)19(28)17(21)26/h3-8,27H,2H2,1H3


name: Hydrogen 9-(2,5-dicarboxylato-4-hydroxyphenyl)-3,6-bis(diethylamino)xanthylium
cas: 6359-22-4
dtxsid: DTXSID70979810
formula: C29H31N2O6
inchikey: WOBHORUYSXFCCI-UHFFFAOYSA-L
norman_susdat_id: NS00043329
pubchem_cid: NA
smiles: O=C([O-])C1=CC(=C(C=C1O)C(=O)[O-])C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)N(CC)CC)N(CC)CC
inchi:
InChI=1/C29H30N2O6/c1-5-30(6-2)17-9-11-19-25(13-17)37-26-14-18(31(7-3)8-4)10-12-20(26)27(19)21-15-23(29(35)36)24(32)16-22(21)28(33)34/h9-16H,5-8H2,1-4H3,(H2-,32,33,34,35,36)/p-1


name: 9-(2-carboxylatophenyl)-3,6-bis[(2,6-dimethylphenyl)amino]xanthylium
cas: 6359-25-7
formula: C36H31N2O3
inchikey: YFJZSHKBOHBCST-UHFFFAOYSA-M
norman_susdat_id: NS00043856
pubchem_cid: 99118839
smiles: O=C([O-])C=1C=CC=CC1C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)NC=5C(=CC=CC5C)C)NC=6C(=CC=CC6C)C
inchi:
InChI=1/C36H30N2O3/c1-21-9-7-10-22(2)34(21)37-25-15-17-29-31(19-25)41-32-20-26(38-35-23(3)11-8-12-24(35)4)16-18-30(32)33(29)27-13-5-6-14-28(27)36(39)40/h5-20,37-38H,1-4H3


name: 6'-(diethylamino)-3'-hydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2'-carboxylic acid
cas: 6359-29-1
dtxsid: DTXSID20884268
formula: C25H21NO6
inchikey: LJYFQGHCZXNILU-UHFFFAOYSA-N
norman_susdat_id: NS00043330
pubchem_cid: 110828
smiles: O=C(O)C=1C=C2C(OC3=CC(=CC=C3C42OC(=O)C=5C=CC=CC54)N(CC)CC)=CC1O
inchi:
InChI=1/C25H21NO6/c1-3-26(4-2)14-9-10-18-21(11-14)31-22-13-20(27)16(23(28)29)12-19(22)25(18)17-8-6-5-7-15(17)24(30)32-25/h5-13,27H,3-4H2,1-2H3,(H,28,29)


cas: 6359-31-5
dtxsid: DTXSID30979811
formula: C27H33N2O2
inchikey: ZRYKXHLKPKDHTL-UHFFFAOYSA-M
norman_susdat_id: NS00044388
pubchem_cid: NA
smiles: [Cl-].O(C1=CC=C2C(=C1)C(C(=CC=CC3=[N+](C=4C=CC(OC)=CC4C3(C)C)C)N2C)(C)C)C
name:
2-[3-(1,3-dihydro-5-methoxy-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-5-methoxy-1,3,3-trimethyl-3H-indolium chloride

inchi:
InChI=1/C27H33N2O2.ClH/c1-26(2)20-16-18(30-7)12-14-22(20)28(5)24(26)10-9-11-25-27(3,4)21-17-19(31-8)13-15-23(21)29(25)6;/h9-17H,1-8H3;1H/q+1;/p-1


name: C.I.Basic Violet 16
cas: 6359-45-1
chemspiderid: 4938629
dtxsid: DTXSID6052320
formula: C23H29N2
inchikey: PKALEBFTSZCHGU-UHFFFAOYSA-M
norman_susdat_id: NS00019573
pubchem_cid: 6433480
smiles: [Cl-].CCN(CC)c1ccc(C=CC2=[N+](C)c3c(cccc3)C2(C)C)cc1
inchi:
InChI=1S/C23H29N2/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5/h8-17H,6-7H2,1-5H3/q+1


cas: 6359-50-8
chemspiderid: 4942159
dtxsid: DTXSID80884269
formula: C22H25N2
inchikey: DSZCWNRVMXBILR-UHFFFAOYSA-M
norman_susdat_id: NS00020104
pubchem_cid: NA
smiles: CC1Cc2ccccc2/[N+]1=C/C=C/3C(c4ccccc4N3C)(C)C.[Cl-]
name:
1H-Indolium, 1-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro-2-methyl-, chloride (1:1)

inchi:
InChI=1S/C22H25N2/c1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4/h5-14,16H,15H2,1-4H3/q+1/t16-/m1/s1


cas: 6359-51-9
formula: C23H18N4O12S3
inchikey: CCTIIXINPKYGPN-UHFFFAOYSA-K
norman_susdat_id: NS00044389
pubchem_cid: 6454653
name:
Trisodium 5-[[2-[4,5-dihydro-3-methyl-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazol-1-yl]-4-sulphonatophenyl]sulphonyl]salicylate

inchi:
InChI=1/C23H18N4O12S3.3Na/c1-12-21(25-24-16-4-2-3-5-19(16)42(37,38)39)22(29)27(26-12)17-11-14(41(34,35)36)7-9-20(17)40(32,33)13-6-8-18(28)15(10-13)23(30)31;;;/h2-11,21,28H,1H3,(H,30,31)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2N3N=C(C)C(N=NC=4C=CC=CC4S(=O)(=O)[O-])C3=O)S(=O)(=O)[O-]


cas: 6359-55-3
formula: C17H14Cl2N4O4S
inchikey: VOTDNULURGVONZ-UHFFFAOYSA-M
norman_susdat_id: NS00044390
pubchem_cid: 3014449
smiles: [Na+].O=C1N(N=C(C)C1N=NC=2C=CC=CC2Cl)C3=C(Cl)C=C(C=C3S(=O)(=O)[O-])C
name:
Sodium 5-chloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]toluene-3-sulphonate

inchi:
InChI=1/C17H14Cl2N4O4S.Na/c1-9-7-12(19)16(14(8-9)28(25,26)27)23-17(24)15(10(2)22-23)21-20-13-6-4-3-5-11(13)18;/h3-8,15H,1-2H3,(H,25,26,27);/q;+1/p-1


name: Sodium 3-[(1-butyl-1,2-dihydro-4-hydroxy-2-oxo-3-quinolyl)azo]-5-chloro-2-hydroxybenzenesulphonate
cas: 6359-71-3
formula: C19H18ClN3O6S
inchikey: CUGKFGMYCDBFKE-UHFFFAOYSA-M
norman_susdat_id: NS00043331
pubchem_cid: 135570892
smiles: [Na+].O=C1C(N=NC2=CC(Cl)=CC(=C2O)S(=O)(=O)[O-])=C(O)C=3C=CC=CC3N1CCCC
inchi:
InChI=1/C19H18ClN3O6S.Na/c1-2-3-8-23-14-7-5-4-6-12(14)17(24)16(19(23)26)22-21-13-9-11(20)10-15(18(13)25)30(27,28)29;/h4-7,9-10,24-25H,2-3,8H2,1H3,(H,27,28,29);/q;+1/p-1


cas: 6359-72-4
formula: C19H15Cl2N3O7S
inchikey: JCSWKKKPQIJIEQ-UHFFFAOYSA-M
norman_susdat_id: NS00043928
pubchem_cid: 3014452
smiles: [Na+].O=C(OCC)NC1=CC(=CC2=CC=C(O)C(N=NC=3C=C(Cl)C=C(Cl)C3O)=C21)S(=O)(=O)[O-]
name:
Sodium 5-[(3,5-dichloro-2-hydroxyphenyl)azo]-4-[(ethoxycarbonyl)amino]-6-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C19H15Cl2N3O7S.Na/c1-2-31-19(27)22-13-8-11(32(28,29)30)5-9-3-4-15(25)17(16(9)13)24-23-14-7-10(20)6-12(21)18(14)26;/h3-8,25-26H,2H2,1H3,(H,22,27)(H,28,29,30);/q;+1/p-1


name: Sodium p-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzenesulphonate
cas: 6359-74-6
dtxsid: DTXSID90884270
formula: C16H14N4O4S
inchikey: XLLUEJQCEHXOQY-UHFFFAOYSA-M
norman_susdat_id: NS00043929
pubchem_cid: 160820
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])C=3C=CC=CC3
inchi:
InChI=1/C16H14N4O4S.Na/c1-11-15(16(21)20(19-11)13-5-3-2-4-6-13)18-17-12-7-9-14(10-8-12)25(22,23)24;/h2-10,15H,1H3,(H,22,23,24);/q;+1/p-1


cas: 6359-80-4
formula: C31H22N6O4S3
inchikey: CTRCUEJBQJXLOE-UHFFFAOYSA-M
norman_susdat_id: NS00043930
pubchem_cid: 6454655
name:
Sodium 2'-[4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate

inchi:
InChI=1/C31H22N6O4S3.Na/c1-17-8-14-24-27(28(17)44(39,40)41)43-30(33-24)20-11-15-23-25(16-20)42-29(32-23)19-9-12-21(13-10-19)34-35-26-18(2)36-37(31(26)38)22-6-4-3-5-7-22;/h3-16,26H,1-2H3,(H,39,40,41);/q;+1/p-1

smiles:
[Na+].O=C1N(N=C(C)C1N=NC2=CC=C(C=C2)C3=NC4=CC=C(C=C4S3)C5=NC=6C=CC(=C(C6S5)S(=O)(=O)[O-])C)C=7C=CC=CC7


name: Acid Yellow 11
cas: 6359-82-6
chemspiderid: 55320
dtxsid: DTXSID5047451
formula: C16H14N4O4S1
inchikey: OILFJMYLWASPJD-ISLYRVAYSA-N
norman_susdat_id: NS00013487
pubchem_cid: NA
smiles: [Na+].CC1=NN(C(=O)C1N=Nc2ccccc2)c3ccc(cc3)[S]([O-])(=O)=O
inchi:
InChI=1S/C16H14N4O4S.Na/c1-11-15(18-17-12-5-3-2-4-6-12)16(21)20(19-11)13-7-9-14(10-8-13)25(22,23)24;/h2-10,15H,1H3,(H,22,23,24);/q;+1/p-1


name: Disodium 2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzoate
cas: 6359-83-7
dtxsid: DTXSID00889514
formula: C17H14N4O6S
inchikey: RTBLVNSNIFUUFC-UHFFFAOYSA-L
norman_susdat_id: NS00043857
pubchem_cid: 93027
smiles: [Na+].[Na+].O=C([O-])C=1C=CC=CC1N=NC2C(=O)N(N=C2C)C3=CC=C(C=C3)S(=O)(=O)[O-]
inchi:
InChI=1/C17H14N4O6S.2Na/c1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27;;/h2-9,15H,1H3,(H,23,24)(H,25,26,27);;/q;2*+1/p-2


cas: 6359-85-9
dtxsid: DTXSID50884271
formula: C23H21N5O6S2
inchikey: VKLQVFKYJGXGKQ-UHFFFAOYSA-M
norman_susdat_id: NS00043931
pubchem_cid: 102274110
smiles: [Na+].O=S(=O)([O-])C1=CC=C(C=C1)N2N=C(C(N=NC3=CC=C(C(=C3)S(=O)(=O)NC=4C=CC=CC4)C)=C2O)C
name:
Sodium 4-(3-methyl-4-(4-methyl-3-(phenylaminosulphonyl)phenylazo)-5-hydroxypyrazol-1-yl)benzenesulphonate

inchi:
InChI=1/C23H21N5O6S2.Na/c1-15-8-9-18(14-21(15)35(30,31)27-17-6-4-3-5-7-17)24-25-22-16(2)26-28(23(22)29)19-10-12-20(13-11-19)36(32,33)34;/h3-14,27,29H,1-2H3,(H,32,33,34);/q;+1/p-1


cas: 6359-86-0
dtxsid: DTXSID10884272
formula: C16H14N5O7S
inchikey: JXOVBZBVMDRWSE-UHFFFAOYSA-M
norman_susdat_id: NS00043333
pubchem_cid: NA
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2O)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-]
name:
Sodium p-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C16H13N5O7S.Na/c1-9-15(18-17-13-8-11(21(24)25)4-7-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;/h2-8,15,22H,1H3,(H,26,27,28);/q;+1/p-1


name: C.I. Acid Yellow 34, monosodium salt
cas: 6359-90-6
chemspiderid: 21172355
dtxsid: DTXSID0041646
formula: C16H13Cl1N4O4S1
inchikey: WOMLYDIIIDEUHC-LTRPLHCINA-M
norman_susdat_id: NS00020218
pubchem_cid: NA
smiles: [Na+].CC1=NN(C(=O)C1N=Nc1ccccc1)c1cc(ccc1Cl)S(=O)(=O)[O-]
inchi:
InChI=1S/C16H13ClN4O4S/c1-10-15(19-18-11-5-3-2-4-6-11)16(22)21(20-10)14-9-12(26(23,24)25)7-8-13(14)17/h2-9,15H,1H3,(H,23,24,25)/b19-18+/t15-/m1/s1


cas: 6359-91-7
dtxsid: DTXSID0064256
formula: C22H18ClN5O6S2
inchikey: LJGQVHYFLNTZIW-UHFFFAOYSA-M
norman_susdat_id: NS00043933
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C1=CC=C(C(Cl)=C1)N2N=C(C(N=NC3=CC=CC(=C3)S(=O)(=O)NC=4C=CC=CC4)=C2O)C
name:
Sodium 3-chloro-4-(5-hydroxy-3-methyl-4-(3-(phenylaminosulphonyl)phenylazo)-1H-pyrazole-1-yl)benzenesulphonate

inchi:
InChI=1/C22H18ClN5O6S2.Na/c1-14-21(22(29)28(26-14)20-11-10-18(13-19(20)23)36(32,33)34)25-24-16-8-5-9-17(12-16)35(30,31)27-15-6-3-2-4-7-15;/h2-13,27,29H,1H3,(H,32,33,34);/q;+1/p-1


cas: 6359-95-1
dtxsid: DTXSID60889515
formula: C20H15ClN4O7S2
inchikey: MIHOYZILGVCGCK-UHFFFAOYSA-L
norman_susdat_id: NS00043900
pubchem_cid: 110831
smiles: [Na+].[Na+].O=C1N(N=C(C)C1N=NC=2C=CC=3C=CC=CC3C2S(=O)(=O)[O-])C4=CC(=CC=C4Cl)S(=O)(=O)[O-]
name:
Disodium 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate

inchi:
InChI=1/C20H15ClN4O7S2.2Na/c1-11-18(20(26)25(24-11)17-10-13(33(27,28)29)7-8-15(17)21)23-22-16-9-6-12-4-2-3-5-14(12)19(16)34(30,31)32;;/h2-10,18H,1H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


cas: 6359-96-2
dtxsid: DTXSID70884273
formula: C16H13ClN5O7S
inchikey: HDNIIDKHCASDLF-UHFFFAOYSA-M
norman_susdat_id: NS00043967
pubchem_cid: NA
smiles: [Na+].O=C1N(N=C(C)C1N=NC=2C=C(C=C(C2O)S(=O)(=O)[O-])[N+](=O)[O-])C=3C=CC=C(Cl)C3
name:
Sodium 3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-2-hydroxy-5-nitrobenzenesulphonate

inchi:
InChI=1/C16H12ClN5O7S.Na/c1-8-14(16(24)21(20-8)10-4-2-3-9(17)5-10)19-18-12-6-11(22(25)26)7-13(15(12)23)30(27,28)29;/h2-7,14,23H,1H3,(H,27,28,29);/q;+1/p-1


name: Sodium 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]benzenesulphonate
cas: 6359-97-3
dtxsid: DTXSID30884274
formula: C16H12Cl2N4O4S
inchikey: NFPCJYBCHNUCEQ-UHFFFAOYSA-M
norman_susdat_id: NS00043362
pubchem_cid: 61393
smiles: [Na+].O=C1N(N=C(C)C1N=NC=2C=CC=CC2)C3=CC(Cl)=C(C=C3Cl)S(=O)(=O)[O-]
inchi:
InChI=1/C16H12Cl2N4O4S.Na/c1-9-15(20-19-10-5-3-2-4-6-10)16(23)22(21-9)13-7-12(18)14(8-11(13)17)27(24,25)26;/h2-8,15H,1H3,(H,24,25,26);/q;+1/p-1


name: CI 18965
cas: 6359-98-4
chemspiderid: 21406
formula: C16H12Cl2N4O7S2
inchikey: DWYWPBYWDAZKNX-FMQUCBEESA-N
norman_susdat_id: NS00013488
pubchem_cid: NA
smiles: [Na+].[Na+].CC1=NN(C(=O)C1N=Nc2ccc(cc2)[S]([O-])(=O)=O)c3cc(Cl)c(cc3Cl)[S]([O-])(=O)=O
inchi:
InChI=1S/C16H12Cl2N4O7S2.2Na/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29;;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


cas: 6359-99-5
formula: C23H19Cl2N5O6S2
inchikey: HKTOCEMTZDAQKB-UHFFFAOYSA-M
norman_susdat_id: NS00043968
pubchem_cid: 3014454
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC=C(C(=C2)S(=O)(=O)NC=3C=CC=CC3)C)C4=CC(Cl)=C(C=C4Cl)S(=O)(=O)[O-]
name:
Sodium 4-[4-[[3-(anilinosulphonyl)-p-tolyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulphonate

inchi:
InChI=1/C23H19Cl2N5O6S2.Na/c1-13-8-9-16(10-20(13)37(32,33)29-15-6-4-3-5-7-15)26-27-22-14(2)28-30(23(22)31)19-11-18(25)21(12-17(19)24)38(34,35)36;/h3-12,22,29H,1-2H3,(H,34,35,36);/q;+1/p-1


name: Terazosin
cas: 63590-64-7
chebiid: CHEBI:9445
chemspiderid: 5208
dtxsid: DTXSID3023639
formula: C19H25N5O4
inchikey: VCKUSRYTPJJLNI-UHFFFAOYSA-N
norman_susdat_id: NS00008855
pubchem_cid: 5401
smiles: COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
inchi:
InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)


name: Stallimycin
cas: 636-47-5
chemspiderid: 3003
dtxsid: DTXSID9045637
formula: C22H27N9O4
inchikey: UPBAOYRENQEPJO-UHFFFAOYSA-N
norman_susdat_id: NS00011743
pubchem_cid: 3115
smiles: [H]/N=C(/CCNC(=O)c1cc(cn1C)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC=O)N
inchi:
InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)


name: Clopamide
cas: 636-54-4
chebiid: CHEBI:94521
chemspiderid: 11980
dtxsid: DTXSID1022847
formula: C14H20Cl1N3O3S1
inchikey: LBXHRAWDUMTPSE-AOOOYVTPSA-N
norman_susdat_id: NS00007606
pubchem_cid: 12492
smiles: C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
inchi:
InChI=1S/C14H20ClN3O3S/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-12(15)13(8-11)22(16,20)21/h6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21)/t9-,10+


name: gamma-Glutamylcysteine
cas: 636-58-8
chebiid: CHEBI:17515
chemspiderid: 819
dtxsid: DTXSID90212978
formula: C8H14N2O5S1
inchikey: RITKHVBHSGLULN-WHFBIAKZSA-N
norman_susdat_id: NS00014839
pubchem_cid: 123938
smiles: O=C(O)C(NC(=O)CCC(C(=O)O)N)CS
inchi:
InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1


name: d-Noradrenaline bitartrate
cas: 636-88-4
dtxsid: DTXSID80212982
formula: C12H17NO9
inchikey: WNPNNLQNNJQYFA-HQWYAZORSA-N
norman_susdat_id: NS00076419
smiles: O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC[C@@H](O)C1=CC(O)=C(O)C=C1
inchi:
InChI=1S/C8H11NO3.C4H6O6/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10/h1-3,8,10-12H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10)/t8-;1-,2-/m11/s1


name: Disodium 6-amino-5-[(4-amino-2-sulphonatophenyl)azo]-4-hydroxynaphthalene-2-sulphonate
cas: 6360-04-9
dtxsid: DTXSID5064257
formula: C16H14N4O7S2
inchikey: XHWOCFKPINOVST-UHFFFAOYSA-L
norman_susdat_id: NS00043915
pubchem_cid: 80696
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC3=CC=C(N)C=C3S(=O)(=O)[O-])=C1
inchi:
InChI=1/C16H14N4O7S2.2Na/c17-9-2-4-12(14(6-9)29(25,26)27)19-20-16-11(18)3-1-8-5-10(28(22,23)24)7-13(21)15(8)16;;/h1-7,21H,17-18H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


name: Disodium 5-[(5-acetamido-2-sulphonatophenyl)azo]-6-amino-4-hydroxynaphthalene-2-sulphonate
cas: 6360-05-0
dtxsid: DTXSID50979818
formula: C18H16N4O8S2
inchikey: PKLWYYWSOGHKLY-UHFFFAOYSA-L
norman_susdat_id: NS00043916
pubchem_cid: NA
smiles: [Na+].[Na+].O=C(NC1=CC=C(C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)[O-])=C1)S(=O)(=O)[O-])C
inchi:
InChI=1/C18H16N4O8S2.2Na/c1-9(23)20-11-3-5-16(32(28,29)30)14(7-11)21-22-18-13(19)4-2-10-6-12(31(25,26)27)8-15(24)17(10)18;;/h2-8,24H,19H2,1H3,(H,20,23)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


cas: 6360-10-7
dtxsid: DTXSID90884275
formula: C26H25N5O7S2
inchikey: REFVIYYCEVEBGO-UHFFFAOYSA-M
norman_susdat_id: NS00044418
pubchem_cid: 160822
smiles: [Na+].O=C(NC1=CC=C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)[O-])C(=C1)S(=O)(=O)N(C=4C=CC=CC4)CC)C
name:
Sodium 5-[[4-(acetylamino)-2-[(ethylphenylamino)sulphonyl]phenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C26H25N5O7S2.Na/c1-3-31(19-7-5-4-6-8-19)39(34,35)24-14-18(28-16(2)32)10-12-22(24)29-30-26-21(27)11-9-17-13-20(40(36,37)38)15-23(33)25(17)26;/h4-15,33H,3,27H2,1-2H3,(H,28,32)(H,36,37,38);/q;+1/p-1


cas: 6360-12-9
dtxsid: DTXSID10979819
formula: C23H17N3O12S3
inchikey: QQXOFMKTSCHZFL-UHFFFAOYSA-K
norman_susdat_id: NS00043969
pubchem_cid: 3015247
name:
Trisodium 5-[[2-[(2-amino-8-hydroxy-6-sulphonato-1-naphthyl)azo]-4-sulphonatophenyl]sulphonyl]salicylate

inchi:
InChI=1/C23H17N3O12S3.3Na/c24-16-4-1-11-7-14(41(36,37)38)10-19(28)21(11)22(16)26-25-17-9-13(40(33,34)35)3-6-20(17)39(31,32)12-2-5-18(27)15(8-12)23(29)30;;;/h1-10,27-28H,24H2,(H,29,30)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2N=NC3=C(N)C=CC4=CC(=CC(O)=C43)S(=O)(=O)[O-])S(=O)(=O)[O-]


cas: 6360-29-8
dtxsid: DTXSID5064259
formula: C39H27N7O9S2
inchikey: RJDWQVFKQLBFBW-UHFFFAOYSA-K
norman_susdat_id: NS00043377
pubchem_cid: NA
name:
Trisodium 5-[[4'-[[4-[(4-amino-7-sulphonato-1-naphthyl)azo]-6-sulphonato-1-naphthyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C39H27N7O9S2.3Na/c40-34-14-15-36(31-20-27(56(50,51)52)10-12-29(31)34)45-46-37-17-16-35(30-13-11-28(21-32(30)37)57(53,54)55)44-42-25-7-3-23(4-8-25)22-1-5-24(6-2-22)41-43-26-9-18-38(47)33(19-26)39(48)49;;;/h1-21,47H,40H2,(H,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC4=CC=C(N=NC5=CC=C(N)C=6C=CC(=CC56)S(=O)(=O)[O-])C=7C=C(C=CC47)S(=O)(=O)[O-])C=C3)=CC=C1O


cas: 6360-43-6
formula: C34H26N8O11S3
inchikey: UZHZWSKPHYRVDX-UHFFFAOYSA-K
norman_susdat_id: NS00043378
pubchem_cid: 135571008
name:
Trisodium 4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-4'-[(4-hydroxyphenyl)azo][1,1'-biphenyl]-2,2'-disulphonate

inchi:
InChI=1/C34H26N8O11S3.3Na/c35-19-2-12-29(28(36)14-19)41-39-21-3-1-18-13-32(56(51,52)53)33(34(44)27(18)15-21)42-40-23-7-11-26(31(17-23)55(48,49)50)25-10-6-22(16-30(25)54(45,46)47)38-37-20-4-8-24(43)9-5-20;;;/h1-17,43-44H,35-36H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C2C=CC(N=NC3=CC=C(N)C=C3N)=CC2=C(O)C1N=NC4=CC=C(C5=CC=C(N=NC6=CC=C(O)C=C6)C=C5S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-]


cas: 6360-54-9
dtxsid: DTXSID4064260
formula: C33H28N8O6S
inchikey: FAQUHXBTAIFQMH-UHFFFAOYSA-L
norman_susdat_id: NS00043379
pubchem_cid: NA
name:
Disodium 5-[[4'-[[2,6-diamino-3-methyl-5-[(4-sulphonatophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-3-methylsalicylate

inchi:
InChI=1/C33H28N8O6S.2Na/c1-18-16-28(40-37-24-11-13-26(14-12-24)48(45,46)47)30(35)31(29(18)34)41-38-23-9-5-21(6-10-23)20-3-7-22(8-4-20)36-39-25-15-19(2)32(42)27(17-25)33(43)44;;/h3-17,42H,34-35H2,1-2H3,(H,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC=4C(N)=C(N=NC5=CC=C(C=C5)S(=O)(=O)[O-])C=C(C4N)C)C=C3)=CC(=C1O)C


name: Disodium 9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonate
cas: 63605-22-1
formula: C14H8O8S2.2Na
inchikey: GOMHLMDSLCQXPW-UHFFFAOYSA-L
norman_susdat_id: NS00087594
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3c(cccc3S(=O)(=O)[O-])C(=O)c2c1
inchi:
InChI=1/C14H8O8S2.2Na/c15-13-9-2-1-3-11(24(20,21)22)12(9)14(16)8-5-4-7(6-10(8)13)23(17,18)19;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2


name: Benzamide, 4-amino-N-ethyl-N-1-naphthalenyl-
cas: 6361-29-1
chemspiderid: 72873
dtxsid: DTXSID9064261
formula: C19H18N2O1
inchikey: PZIJKAARIDUWEZ-UHFFFAOYSA-N
norman_susdat_id: NS00035509
pubchem_cid: 80703
smiles: CCN(C(=O)c1ccc(N)cc1)c1c2ccccc2ccc1
inchi:
InChI=1S/C19H18N2O/c1-2-21(19(22)15-10-12-16(20)13-11-15)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2,20H2,1H3


name: 3-hydroxynaphthalene-2,6-disulphonic acid
cas: 6361-38-2
dtxsid: DTXSID60979824
formula: C10H8O7S2
inchikey: IJMIXVXSQKGSPW-UHFFFAOYSA-N
norman_susdat_id: NS00043380
pubchem_cid: 11970750
smiles: O=S(=O)(O)C1=CC=C2C=C(C(O)=CC2=C1)S(=O)(=O)O
inchi:
InChI=1/C10H8O7S2/c11-9-4-7-3-8(18(12,13)14)2-1-6(7)5-10(9)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)


name: 6-Acetamido-4-hydroxynaphthalene-2-sulphonic acid
cas: 6361-41-7
chemspiderid: 72635
dtxsid: DTXSID50212994
formula: C12H11N1O5S1
inchikey: YKVBYISUDGOVDM-UHFFFAOYSA-N
norman_susdat_id: NS00035511
pubchem_cid: 80706
smiles: CC(=O)Nc1cc2c(O)cc(cc2cc1)S(=O)(=O)O
inchi:
InChI=1S/C12H11NO5S/c1-7(14)13-9-3-2-8-4-10(19(16,17)18)6-12(15)11(8)5-9/h2-6,15H,1H3,(H,13,14)(H,16,17,18)


name: 7-[(4-amino-3-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulphonic acid
cas: 6361-46-2
dtxsid: DTXSID4064262
formula: C18H16N2O5S
inchikey: HSSHAQANFGBAQC-UHFFFAOYSA-N
norman_susdat_id: NS00043917
pubchem_cid: 80707
smiles: O=C(NC=1C=CC2=C(O)C=C(C=C2C1)S(=O)(=O)O)C3=CC=C(N)C(=C3)C
inchi:
InChI=1/C18H16N2O5S/c1-10-6-11(2-5-16(10)19)18(22)20-13-3-4-15-12(7-13)8-14(9-17(15)21)26(23,24)25/h2-9,21H,19H2,1H3,(H,20,22)(H,23,24,25)


name: 4-(benzoylamino)-5-hydroxynaphthalene-1,7-disulphonic acid
cas: 6361-49-5
dtxsid: DTXSID50884276
formula: C17H13NO8S2
inchikey: BUVOCOQOYNGMCO-UHFFFAOYSA-N
norman_susdat_id: NS00043970
pubchem_cid: 80708
smiles: O=C(NC1=CC=C(C=2C=C(C=C(O)C12)S(=O)(=O)O)S(=O)(=O)O)C=3C=CC=CC3
inchi:
InChI=1/C17H13NO8S2/c19-14-9-11(27(21,22)23)8-12-15(28(24,25)26)7-6-13(16(12)14)18-17(20)10-4-2-1-3-5-10/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26)


name: Indobufen
cas: 63610-08-2
chemspiderid: 96823
dtxsid: DTXSID7057789
formula: C18H17N1O3
inchikey: AYDXAULLCROVIT-UHFFFAOYNA-N
norman_susdat_id: NS00035505
pubchem_cid: NA
smiles: CC[C@@H](C(=O)O)c1ccc(cc1)N1Cc2c(cccc2)C1=O
inchi:
InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)/t15-/m1/s1


name: Nilutamide
cas: 63612-50-0
chebiid: CHEBI:7573
chemspiderid: 4337
dtxsid: DTXSID3034165
formula: C12H10F3N3O4
inchikey: XWXYUMMDTVBTOU-UHFFFAOYSA-N
norman_susdat_id: NS00015500
pubchem_cid: 4493
smiles: CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C
inchi:
InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)


name: 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydroisoquinoline-2(1H)-carboxaldehyde monoacetate
cas: 63614-18-6
formula: C17H26N2O3.C2H4O2
inchikey: NQYQVLQUZAEBQJ-UHFFFAOYSA-N
norman_susdat_id: NS00087352
smiles: CC(=O)O.CC(C)(C)NCC(O)COc1cccc2CN(CCc12)C=O
inchi:
InChI=1/C17H26N2O3.C2H4O2/c1-17(2,3)18-9-14(21)11-22-16-6-4-5-13-10-19(12-20)8-7-15(13)16;1-2(3)4/h4-6,12,14,18,21H,7-11H2,1-3H3;1H3,(H,3,4)


name: Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]-
cas: 63617-61-8
chemspiderid: 101617
dtxsid: DTXSID5069968
formula: C21H19N3
inchikey: GQJHPVOLXNKXKB-UHFFFAOYSA-N
norman_susdat_id: NS00035513
pubchem_cid: 113397
smiles: CCCCc1ccc(cc1)c1cnc(nc1)c1ccc(cc1)C#N
inchi:
InChI=1S/C21H19N3/c1-2-3-4-16-5-9-18(10-6-16)20-14-23-21(24-15-20)19-11-7-17(13-22)8-12-19/h5-12,14-15H,2-4H2,1H3


name: 4-aminonaphthalene-2,6-disulphonic acid
cas: 6362-05-6
dtxsid: DTXSID90212998
formula: C10H9NO6S2
inchikey: XGQWHHCZIMXNHG-UHFFFAOYSA-N
norman_susdat_id: NS00043918
pubchem_cid: 80709
smiles: O=S(=O)(O)C=1C=CC2=CC(=CC(N)=C2C1)S(=O)(=O)O
inchi:
InChI=1/C10H9NO6S2/c11-10-5-8(19(15,16)17)3-6-1-2-7(4-9(6)10)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)


name: Disodium 4-(benzoylamino)-5-hydroxy-6-[(m-tolyl)azo]naphthalene-1,7-disulphonate
cas: 6362-44-3
dtxsid: DTXSID20889516
formula: C24H19N3O8S2
inchikey: VZAROUVOFRCLMS-UHFFFAOYSA-L
norman_susdat_id: NS00043381
pubchem_cid: 80711
inchi:
InChI=1/C24H19N3O8S2.2Na/c1-14-6-5-9-16(12-14)26-27-22-20(37(33,34)35)13-17-19(36(30,31)32)11-10-18(21(17)23(22)28)25-24(29)15-7-3-2-4-8-15;;/h2-13,28H,1H3,(H,25,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C=2C=C(C(N=NC3=CC=CC(=C3)C)=C(O)C12)S(=O)(=O)[O-])S(=O)(=O)[O-])C=4C=CC=CC4


cas: 6362-46-5
dtxsid: DTXSID80889517
formula: C29H25Cl2N3O8S2
inchikey: NVRHDEJQOLEKBI-UHFFFAOYSA-L
norman_susdat_id: NS00044432
pubchem_cid: NA
name:
Disodium 6-[(4-cyclohexylphenyl)azo]-4-[(2,5-dichlorobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonate

inchi:
InChI=1/C29H25Cl2N3O8S2.2Na/c30-18-8-11-22(31)20(14-18)29(36)32-23-12-13-24(43(37,38)39)21-15-25(44(40,41)42)27(28(35)26(21)23)34-33-19-9-6-17(7-10-19)16-4-2-1-3-5-16;;/h6-16,35H,1-5H2,(H,32,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C=2C=C(C(N=NC3=CC=C(C=C3)C4CCCCC4)=C(O)C12)S(=O)(=O)[O-])S(=O)(=O)[O-])C5=CC(Cl)=CC=C5Cl


name: 4-(3-hydroxypropyl)-1-(morpholinecarbonyl)pyridinium chloride
cas: 63629-89-0
dtxsid: DTXSID90979837
formula: C13H19N2O3
inchikey: ABKNSSSQNATKAE-UHFFFAOYSA-M
norman_susdat_id: NS00054733
pubchem_cid: 6454672
smiles: [Cl-].O=C([N+]1=CC=C(C=C1)CCCO)C2OCCNC2
inchi:
InChI=1/C13H19N2O3.ClH/c16-8-1-2-11-3-6-15(7-4-11)13(17)12-10-14-5-9-18-12;/h3-4,6-7,12,14,16H,1-2,5,8-10H2;1H/q+1;/p-1


name: Dadle
cas: 63631-40-3
dtxsid: DTXSID40979842
formula: C29H39N5O7
inchikey: ZHUJMSMQIPIPTF-IBURTVSXSA-N
norman_susdat_id: NS00071158
pubchem_cid: 6917707
smiles: CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
inchi:
InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1


name: N-(3,5-Dichlorophenyl)-N-propan-2-yl-2-imidodicarbonic diamide
cas: 63637-88-7
chemspiderid: NA
dtxsid: DTXSID30803485
formula: C11H13Cl2N3O2
inchikey: MLYSJLQSYCTSDE-UHFFFAOYSA-N
norman_susdat_id: NS00014259
pubchem_cid: NA
smiles: CC(C)NC(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1
inchi:
InChI=1S/C11H13Cl2N3O2/c1-6(2)14-10(17)16-11(18)15-9-4-7(12)3-8(13)5-9/h3-6H,1-2H3,(H3,14,15,16,17,18)


name: 1-Imidazolidinecarboxamide, N-(3,5-dichlorophenyl)-3-(1-methylethyl)-2,4-dioxo-
cas: 63637-89-8
chemspiderid: 131339
dtxsid: DTXSID50213007
formula: C13H13Cl2N3O3
inchikey: GKJUMTZXIUCPAG-UHFFFAOYSA-N
norman_susdat_id: NS00002123
pubchem_cid: 149013
smiles: CC(C)N1C(=O)CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1=O
inchi:
InChI=1S/C13H13Cl2N3O3/c1-7(2)18-11(19)6-17(13(18)21)12(20)16-10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)


name: ((4-Amino-2-sulphophenyl)amino)oxoacetic acid
cas: 6364-15-4
chemspiderid: 72884
dtxsid: DTXSID80213015
formula: C8H8N2O6S1
inchikey: SBPQKRDZOWFQJU-UHFFFAOYSA-N
norman_susdat_id: NS00035516
pubchem_cid: 80717
smiles: Nc1ccc(NC(=O)C(=O)O)c(c1)S(=O)(=O)O
inchi:
InChI=1S/C8H8N2O6S/c9-4-1-2-5(10-7(11)8(12)13)6(3-4)17(14,15)16/h1-3H,9H2,(H,10,11)(H,12,13)(H,14,15,16)


name: 3,9-Perylenedicarboxylic acid
cas: 6364-19-8
chemspiderid: 72885
dtxsid: DTXSID40213016
formula: C22H12O4
inchikey: SDPOODQJUWAHOW-UHFFFAOYSA-N
norman_susdat_id: NS00035517
pubchem_cid: 80718
smiles: OC(=O)c1ccc2c3cccc4c(ccc(c5c2c1ccc5)c34)C(=O)O
inchi:
InChI=1S/C22H12O4/c23-21(24)17-9-8-16-12-4-2-6-14-18(22(25)26)10-7-15(20(12)14)11-3-1-5-13(17)19(11)16/h1-10H,(H,23,24)(H,25,26)


name: 2-[(2,4-diaminophenyl)azo]-4,6-dinitrophenol
cas: 6364-36-9
formula: C12H12N6O5
inchikey: KGFWCOLRCHLEOH-UHFFFAOYSA-N
norman_susdat_id: NS00044435
pubchem_cid: 135666406
smiles: O=[N+]([O-])C1=CC(N=NC2=CC=C(N)C=C2N)=C(O)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C12H10N6O5/c13-6-1-2-9(8(14)3-6)15-16-10-4-7(17(20)21)5-11(12(10)19)18(22)23/h1-5,19H,13-14H2


name: 1(3H)-Isobenzofuranone, 3-(2-quinolinylmethylene)-
cas: 6365-50-0
chemspiderid: 99799
dtxsid: DTXSID4064264
formula: C18H11N1O2
inchikey: CXPDELLOVTUCGG-UHFFFAOYSA-N
norman_susdat_id: NS00035520
pubchem_cid: 111198
smiles: O=C1O/C(=C/c2nc3ccccc3cc2)/c2c1cccc2
inchi:
InChI=1S/C18H11NO2/c20-18-15-7-3-2-6-14(15)17(21-18)11-13-10-9-12-5-1-4-8-16(12)19-13/h1-11H/b17-11+


cas: 63654-41-1
dtxsid: DTXSID10880532
norman_susdat_id: NS00109217
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, polymer with 1,1,1,2,2,3,3-heptafluoro-3-[(trifluoroethenyl)oxy]propane and tetrafluoroethene


name: (Z)-(2-amino-2-oxoethyl)[2-[(3-carboxy-1-oxoallyl)oxy]ethyl]dimethylammonium dodecyl sulphate
cas: 63654-52-4
formula: C12H25O4S.C10H17N2O5
inchikey: MRPTYZHWQNTLIT-QGAMPUOQSA-N
norman_susdat_id: NS00087466
smiles: CCCCCCCCCCCCOS(=O)(=O)[O-].C[N+](C)(CCOC(=O)\C=C/C(=O)O)CC(=O)N
inchi:
InChI=1/C12H26O4S.C10H16N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-12(2,7-8(11)13)5-6-17-10(16)4-3-9(14)15/h2-12H2,1H3,(H,13,14,15);3-4H,5-7H2,1-2H3,(H2-,11,13,14,15)


name: 1-(benzyloxy)-4-[2-(cyclopropylmethoxy)ethyl]benzene
cas: 63659-15-4
chemspiderid: 9689487
formula: C19H22O2
inchikey: MJXKOFSFYPVTSI-UHFFFAOYSA-N
norman_susdat_id: NS00004181
pubchem_cid: 11514697
smiles: C(Cc1ccc(OCc2ccccc2)cc1)OCC1CC1
inchi:
InChI=1S/C19H22O2/c1-2-4-17(5-3-1)15-21-19-10-8-16(9-11-19)12-13-20-14-18-6-7-18/h1-5,8-11,18H,6-7,12-15H2


name: Betaxolol
cas: 63659-18-7
chebiid: CHEBI:3082
chemspiderid: 2279
dtxsid: DTXSID2022674
formula: C18H29N1O3
inchikey: NWIUTZDMDHAVTP-UHFFFAOYSA-N
norman_susdat_id: NS00006058
pubchem_cid: 2369
smiles: CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
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


name: 1-(isopropylamino)-3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]propan-2-ol hydrochloride
cas: 63659-19-8
chebiid: CHEBI:643228
formula: C18H29NO3.ClH
inchikey: CHDPSNLJFOQTRK-UHFFFAOYSA-N
norman_susdat_id: NS00087467
smiles: Cl.CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
inchi:
InChI=1/C18H29NO3.ClH/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;1H


name: Benzyl N6-benzyloxycarbonyl-L-lysinate hydrochloride
cas: 6366-70-7
formula: C21H26N2O4
inchikey: XHBTZNKKLKICJY-FYZYNONXSA-N
norman_susdat_id: NS00044436
pubchem_cid: 417240
smiles: Cl.O=C(OCC=1C=CC=CC1)NCCCCC(N)C(=O)OCC=2C=CC=CC2
inchi:
InChI=1/C21H26N2O4.ClH/c22-19(20(24)26-15-17-9-3-1-4-10-17)13-7-8-14-23-21(25)27-16-18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16,22H2,(H,23,25);1H


name: 2'-deoxy-N-(2-methyl-1-oxopropyl)guanosine 3'-benzoate
cas: 63660-23-1
dtxsid: DTXSID00979888
formula: C21H23N5O6
inchikey: LIOWMNSJEHKBBW-RRFJBIMHSA-N
norman_susdat_id: NS00054734
pubchem_cid: NA
smiles: O=C(OC1CC(OC1CO)N2C=NC=3C(=O)NC(=NC32)NC(=O)C(C)C)C=4C=CC=CC4
inchi:
InChI=1/C21H23N5O6/c1-11(2)18(28)24-21-23-17-16(19(29)25-21)22-10-26(17)15-8-13(14(9-27)31-15)32-20(30)12-6-4-3-5-7-12/h3-7,10-11,13-15,27H,8-9H2,1-2H3,(H2,23,24,25,28,29)


name: [[4-[(Heptadecafluorononenyl)oxy]phenyl]methyl]phosphonic acid, monosodium salt
cas: 63661-51-8
dtxsid: DTXSID80881354
formula: C16H7F17NaO4P
inchikey: FEHZEDPXNRZXCE-UHFFFAOYSA-M
norman_susdat_id: NS00111627
smiles: [Na+].OP([O-])(=O)CC1=CC=C(OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C16H8F17O4P.Na/c17-8(9(18)37-7-3-1-6(2-4-7)5-38(34,35)36)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33;/h1-4H,5H2,(H2,34,35,36);/q;+1/p-1


name: 1-tert-butyl-4,4-diphenylpiperidinium chloride
cas: 63661-61-0
formula: C21H27N.ClH
inchikey: USUUKNCFNKZGEY-UHFFFAOYSA-N
norman_susdat_id: NS00087194
smiles: [Cl-].CC(C)(C)[NH+]1CCC(CC1)(c2ccccc2)c3ccccc3
inchi:
InChI=1/C21H27N.ClH/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-13H,14-17H2,1-3H3;1H


name: 7-[(E)-(4-Aminophenyl)diazenyl]naphthalene-1,3,5-trisulfonic acid
cas: 63661-82-5
chemspiderid: 9481297
dtxsid: DTXSID00461819
formula: C16H13N3O9S3
inchikey: XZDOEWBFAWRCLD-UHFFFAOYSA-N
norman_susdat_id: NS00002876
pubchem_cid: 11306321
smiles: Nc1ccc(cc1)N=Nc1cc(c2cc(cc(c2c1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
inchi:
InChI=1S/C16H13N3O9S3/c17-9-1-3-10(4-2-9)18-19-11-5-13-14(15(6-11)30(23,24)25)7-12(29(20,21)22)8-16(13)31(26,27)28/h1-8H,17H2,(H,20,21,22)(H,23,24,25)(H,26,27,28)


name: [2-hydroxy-3-sulphopropyl]dimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium hydroxide
cas: 63663-12-7
dtxsid: DTXSID70979890
formula: C26H55N2O5S
inchikey: DHSOKKDZLWXILH-UHFFFAOYSA-N
norman_susdat_id: NS00054735
pubchem_cid: 3017447
smiles: [OH-].O=C(NCCC[N+](C)(C)CC(O)CS(=O)(=O)O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H54N2O5S.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(30)27-21-19-22-28(2,3)23-25(29)24-34(31,32)33;/h25,29H,4-24H2,1-3H3,(H-,27,30,31,32,33);1H2


name: Pentanediamide, N1,N5-dibutyl-2-[(1-oxododecyl)amino]-, (2S)-
cas: 63663-21-8
chemspiderid: 101619
dtxsid: DTXSID50886634
formula: C25H49N3O3
inchikey: QIVRABJQTNPYAI-UHFFFAOYSA-N
norman_susdat_id: NS00013567
pubchem_cid: 13628542
smiles: CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC)C(=O)NCCCC
inchi:
InChI=1S/C25H49N3O3/c1-4-7-10-11-12-13-14-15-16-17-24(30)28-22(25(31)27-21-9-6-3)18-19-23(29)26-20-8-5-2/h22H,4-21H2,1-3H3,(H,26,29)(H,27,31)(H,28,30)/t22-/m0/s1


name: 2-(2-chloro-2-phenylvinyl)-1-methylnaphtho[1,2-d]thiazolium chloride
cas: 63665-80-5
dtxsid: DTXSID10886635
formula: C20H15ClNS
inchikey: ONAQNLOYSAHXHF-VSORCOHTSA-M
norman_susdat_id: NS00054736
pubchem_cid: 21118962
smiles: [Cl-].ClC(=CC=1SC2=CC=C3C=CC=CC3=C2[N+]1C)C=4C=CC=CC4
inchi:
InChI=1/C20H15ClNS.ClH/c1-22-19(13-17(21)15-8-3-2-4-9-15)23-18-12-11-14-7-5-6-10-16(14)20(18)22;/h2-13H,1H3;1H/q+1;/p-1


cas: 63665-81-6
formula: C33H25N2S2.C7H7O3S
inchikey: FQEAOMQUSANKRE-UHFFFAOYSA-M
norman_susdat_id: NS00087435
smiles: [O-]S(=O)(=O)c1ccc(C)cc1.C[n+]5c6c7ccccc7ccc6sc5C=C(C=C3Sc2ccc1ccccc1c2N3C)c4ccccc4
name:
1-methyl-2-[3-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-phenyl-1-propenyl]naphtho[1,2-d]thiazolium toluene-p-sulphonate

inchi:
InChI=1/C33H25N2S2.C7H8O3S/c1-34-30(36-28-18-16-23-12-6-8-14-26(23)32(28)34)20-25(22-10-4-3-5-11-22)21-31-35(2)33-27-15-9-7-13-24(27)17-19-29(33)37-31;1-6-2-4-7(5-3-6)11(8,9)10/h3-21H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 3,4-dihydro-2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl hexadecanoate
cas: 63665-90-7
dtxsid: DTXSID30886637
formula: C44H78O3
inchikey: MDEANXMHFKNOLF-UHFFFAOYSA-N
norman_susdat_id: NS00055603
pubchem_cid: 112711
smiles: O=C(OC=1C=C2C(OC(C)C(C2)CCCC(C)CCCC(C)CCCC(C)C)=C(C1C)C)CCCCCCCCCCCCCCC
inchi:
InChI=1/C44H78O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-31-43(45)47-42-33-41-32-40(39(8)46-44(41)38(7)37(42)6)30-24-29-36(5)28-23-27-35(4)26-22-25-34(2)3/h33-36,39-40H,9-32H2,1-8H3


cas: 63665-91-8
dtxsid: DTXSID9069976
formula: C29H27N4
inchikey: PBBNOYLMQQNWNI-UHFFFAOYSA-M
norman_susdat_id: NS00055604
pubchem_cid: NA
smiles: N#CCCN1C=2C=CC=CC2C(C=CC3=[N+](C=4N=CC=CC4C3(C)C)C)=C1C=5C=CC=CC5.O=S(=O)([O-])C1=CC=C(C=C1)C
name:
2-[2-[1-(2-cyanoethyl)-2-phenyl-1H-indol-3-yl]vinyl]-1,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridinium toluene-p-sulphonate

inchi:
InChI=1/C29H27N4.C7H8O3S/c1-29(2)24-14-9-19-31-28(24)32(3)26(29)17-16-23-22-13-7-8-15-25(22)33(20-10-18-30)27(23)21-11-5-4-6-12-21;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,11-17,19H,10,20H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


cas: 63665-92-9
chemspiderid: 101024
dtxsid: DTXSID4069977
formula: C17H14Cl5N3O2
inchikey: XAGJZZOIBJUNOJ-UHFFFAOYSA-N
norman_susdat_id: NS00035522
pubchem_cid: 112712
smiles: CCOC(=O)/C=C(NNc1c(Cl)cc(Cl)cc1Cl)/Nc1ccc(Cl)cc1Cl
name:
2-Propenoic acid, 3-[(2,4-dichlorophenyl)amino]-3-[2-(2,4,6-trichlorophenyl)hydrazino]-, ethyl ester

inchi:
InChI=1S/C17H14Cl5N3O2/c1-2-27-16(26)8-15(23-14-4-3-9(18)5-11(14)20)24-25-17-12(21)6-10(19)7-13(17)22/h3-8,23-25H,2H2,1H3/b15-8-


name: 1,2-Benzenediamine, N-methyl-N'-(2,4,6-trinitrophenyl)-
cas: 63666-07-9
chemspiderid: 4588766
dtxsid: DTXSID9069978
formula: C13H11N5O6
inchikey: WGXBBJVLCHXIPU-UHFFFAOYSA-N
norman_susdat_id: NS00035523
pubchem_cid: 5485996
smiles: CNc1c(Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])cccc1
inchi:
InChI=1S/C13H11N5O6/c1-14-9-4-2-3-5-10(9)15-13-11(17(21)22)6-8(16(19)20)7-12(13)18(23)24/h2-7,14-15H,1H3


name: [1,1':3',1''-Terphenyl]-2'-ol, 5'-(octadecyloxy)-
cas: 63671-76-1
chemspiderid: 151812
dtxsid: DTXSID8069981
formula: C36H50O2
inchikey: JJHKARPEMHIIQC-UHFFFAOYSA-N
norman_susdat_id: NS00035525
pubchem_cid: 173955
smiles: CCCCCCCCCCCCCCCCCCOc1cc(c(O)c(c1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C36H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-38-33-29-34(31-24-19-17-20-25-31)36(37)35(30-33)32-26-21-18-22-27-32/h17-22,24-27,29-30,37H,2-16,23,28H2,1H3


name: Nisoldipine
cas: 63675-72-9
chebiid: CHEBI:76917
chemspiderid: 4343
dtxsid: DTXSID0023371
formula: C20H24N2O6
inchikey: VKQFCGNPDRICFG-UHFFFAOYSA-N
norman_susdat_id: NS00002600
pubchem_cid: 4499
smiles: COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C
inchi:
InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3


name: 2-Naphthalenamine, N-ethyl-1-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-
cas: 6368-72-5
chemspiderid: 55325
dtxsid: DTXSID4064266
formula: C24H21N5
inchikey: VKWNTWQXVLKCSG-UHFFFAOYSA-N
norman_susdat_id: NS00020105
pubchem_cid: 61396
smiles: CCNc1ccc2ccccc2c1N=Nc1ccc(cc1)N=Nc1ccccc1
inchi:
InChI=1S/C24H21N5/c1-2-25-23-17-12-18-8-6-7-11-22(18)24(23)29-28-21-15-13-20(14-16-21)27-26-19-9-4-3-5-10-19/h3-17,25H,2H2,1H3/b27-26+,29-28+


name: Benzamide, N-(4-amino-5-chloro-2-methoxyphenyl)-
cas: 6368-90-7
chemspiderid: 72893
dtxsid: DTXSID9064267
formula: C14H13Cl1N2O2
inchikey: VIUTVHGOAOMQHY-UHFFFAOYSA-N
norman_susdat_id: NS00021278
pubchem_cid: 80727
smiles: COc1cc(N)c(Cl)cc1NC(=O)c1ccccc1
inchi:
InChI=1S/C14H13ClN2O2/c1-19-13-8-11(16)10(15)7-12(13)17-14(18)9-5-3-2-4-6-9/h2-8H,16H2,1H3,(H,17,18)


name: 3,3'-dithiobis(3-phenylpropionic) acid
cas: 63684-32-2
dtxsid: DTXSID60867030
formula: C18H18O4S2
inchikey: QEUYTFJIJXIVLP-UHFFFAOYSA-N
norman_susdat_id: NS00054669
pubchem_cid: 64913
smiles: O=C(O)CC(SSC(C=1C=CC=CC1)CC(=O)O)C=2C=CC=CC2
inchi:
InChI=1/C18H18O4S2/c19-17(20)11-15(13-7-3-1-4-8-13)23-24-16(12-18(21)22)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)(H,21,22)


name: N-(5-bromo-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
cas: 6369-12-6
dtxsid: DTXSID00979984
formula: C18H14BrNO3
inchikey: FUGJUYHOUCUNPR-UHFFFAOYSA-N
norman_susdat_id: NS00044039
pubchem_cid: 80729
smiles: O=C(NC1=CC(Br)=CC=C1OC)C2=CC=3C=CC=CC3C=C2O
inchi:
InChI=1/C18H14BrNO3/c1-23-17-7-6-13(19)10-15(17)20-18(22)14-8-11-4-2-3-5-12(11)9-16(14)21/h2-10,21H,1H3,(H,20,22)


name: N-(4-Benzamido-2,5-dimethoxyphenyl)-3-oxo-3-phenylpropionamide
cas: 6369-23-9
chemspiderid: 72896
dtxsid: DTXSID90213086
formula: C24H22N2O5
inchikey: UTZHFYLQHOUWFE-UHFFFAOYSA-N
norman_susdat_id: NS00021279
pubchem_cid: 80730
smiles: COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CC(=O)c1ccccc1
inchi:
InChI=1S/C24H22N2O5/c1-30-21-14-19(26-24(29)17-11-7-4-8-12-17)22(31-2)13-18(21)25-23(28)15-20(27)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29)


name: Disodium 2-[[1-hydroxy-7-(phenylamino)-3-sulphonato-2-naphthyl]azo]benzoate
cas: 6369-32-0
dtxsid: DTXSID40889518
formula: C23H17N3O6S
inchikey: LVOFSWXWJSVXOA-UHFFFAOYSA-L
norman_susdat_id: NS00044485
pubchem_cid: 80732
smiles: [Na+].[Na+].O=C([O-])C=1C=CC=CC1N=NC2=C(O)C3=CC(=CC=C3C=C2S(=O)(=O)[O-])NC=4C=CC=CC4
inchi:
InChI=1/C23H17N3O6S.2Na/c27-22-18-13-16(24-15-6-2-1-3-7-15)11-10-14(18)12-20(33(30,31)32)21(22)26-25-19-9-5-4-8-17(19)23(28)29;;/h1-13,24,27H,(H,28,29)(H,30,31,32);;/q;2*+1/p-2


cas: 6369-33-1
dtxsid: DTXSID10884277
formula: C28H28N4O6S
inchikey: HNBPOFFEOSOAKW-UHFFFAOYSA-M
norman_susdat_id: NS00043958
pubchem_cid: 165450
smiles: [Na+].O=C(N(C1=CC=C(C(N=NC2=C(O)C3=CC(=CC=C3C=C2S(=O)(=O)[O-])NC4=CC=C(OC)C=C4)=C1)C)CC)C
name:
Sodium 3-[[5-(acetylethylamino)-o-tolyl]azo]-4-hydroxy-6-[(4-methoxyphenyl)amino]naphthalene-2-sulphonate

inchi:
InChI=1/C28H28N4O6S.Na/c1-5-32(18(3)33)22-11-6-17(2)25(16-22)30-31-27-26(39(35,36)37)14-19-7-8-21(15-24(19)28(27)34)29-20-9-12-23(38-4)13-10-20;/h6-16,29,34H,5H2,1-4H3,(H,35,36,37);/q;+1/p-1


name: Sodium 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-(phenylazo)naphthalene-2-sulphonate
cas: 6369-35-3
formula: C23H18N4O5S
inchikey: QOXAGGMMRVMFOB-UHFFFAOYSA-M
norman_susdat_id: NS00044040
pubchem_cid: 415949
smiles: [Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3)C2O)S(=O)(=O)[O-])C=4C=CC=C(N)C4
inchi:
InChI=1/C23H18N4O5S.Na/c24-16-6-4-5-14(11-16)23(29)25-18-9-10-19-15(12-18)13-20(33(30,31)32)21(22(19)28)27-26-17-7-2-1-3-8-17;/h1-13,28H,24H2,(H,25,29)(H,30,31,32);/q;+1/p-1


name: Sodium 7-[(3-aminobenzoyl)amino]-3-[(2,4-dimethylphenyl)azo]-4-hydroxynaphthalene-2-sulphonate
cas: 6369-36-4
formula: C25H22N4O5S
inchikey: GSAWRBJCZDOLLM-UHFFFAOYSA-M
norman_susdat_id: NS00043959
pubchem_cid: 3014461
smiles: [Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C=C3C)C)C2O)S(=O)(=O)[O-])C=4C=CC=C(N)C4
inchi:
InChI=1/C25H22N4O5S.Na/c1-14-6-9-21(15(2)10-14)28-29-23-22(35(32,33)34)13-17-12-19(7-8-20(17)24(23)30)27-25(31)16-4-3-5-18(26)11-16;/h3-13,30H,26H2,1-2H3,(H,27,31)(H,32,33,34);/q;+1/p-1


name: Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, nitro derivatives
cas: 6369-65-9
dtxsid: DTXSID9064269
formula: C34H14N2O6
inchikey: KDVDMQVITMTCAH-UHFFFAOYSA-N
norman_susdat_id: NS00066746
pubchem_cid: 80733
smiles: O=C1C2=CC=C3C4=CC=C5C(=O)C6=CC(=CC=C6C7=CC=C(C8=CC=C(C=9C=CC(=CC19)N(=O)=O)C2=C38)C4=C57)N(=O)=O
inchi:
InChI=1/C34H14N2O6/c37-33-25-11-9-23-24-10-12-26-32-20(18-4-2-16(36(41)42)14-28(18)34(26)38)6-8-22(30(24)32)21-7-5-19(31(25)29(21)23)17-3-1-15(35(39)40)13-27(17)33/h1-14H


name: Ammonium (S)-5-[(4-amino-4-carboxy-1-oxobutyl)amino]-2-nitrobenzoate
cas: 63699-78-5
dtxsid: DTXSID20980012
formula: C12H14N3O7
inchikey: GFABNNMTRVBLPZ-QRPNPIFTSA-N
norman_susdat_id: NS00055651
pubchem_cid: NA
smiles: O=C([O-])C1=CC(=CC=C1[N+](=O)[O-])NC(=O)CCC(N)C(=O)O.[NH4+]
inchi:
InChI=1/C12H13N3O7.H3N/c13-8(12(19)20)2-4-10(16)14-6-1-3-9(15(21)22)7(5-6)11(17)18;/h1,3,5,8H,2,4,13H2,(H,14,16)(H,17,18)(H,19,20);1H3


name: Aluminium tristearate
cas: 637-12-7
chebiid: CHEBI:37867
formula: C18H36O2.1/3Al
inchikey: CEGOLXSVJUTHNZ-UHFFFAOYSA-K
norman_susdat_id: NS00079596
smiles: [Al+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H36O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3


name: Tropacocaine hydrochloride
cas: 637-23-0
formula: C15H19NO2
inchikey: MMAGCXHWOMQWKW-UHFFFAOYSA-N
norman_susdat_id: NS00042039
pubchem_cid: 10834
smiles: Cl.O=C(OC1CC2N(C)C(CC2)C1)C=3C=CC=CC3
inchi:
InChI=1/C15H19NO2.ClH/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11;/h2-6,12-14H,7-10H2,1H3;1H


name: Proguanil hydrochloride
cas: 637-32-1
formula: C11H16ClN5.ClH
inchikey: SARMGXPVOFNNNG-UHFFFAOYSA-N
norman_susdat_id: NS00079833
smiles: Cl.CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1
inchi:
InChI=1/C11H16ClN5.ClH/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9;/h3-7H,1-2H3,(H5,13,14,15,16,17);1H


name: Octadecanamide, N-phenyl-
cas: 637-54-7
chemspiderid: 62683
dtxsid: DTXSID6060921
formula: C24H41N1O1
inchikey: ZOLJFBQEKSZVCB-UHFFFAOYSA-N
norman_susdat_id: NS00035551
pubchem_cid: 69476
smiles: CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1
inchi:
InChI=1S/C24H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3,(H,25,26)


name: Octadecanoic acid, phenyl ester
cas: 637-55-8
chemspiderid: 3480
dtxsid: DTXSID1060922
formula: C24H40O2
inchikey: NUMNZKICGJJSHN-UHFFFAOYSA-N
norman_susdat_id: NS00035553
pubchem_cid: 69477
smiles: CCCCCCCCCCCCCCCCCC(=O)Oc1ccccc1
inchi:
InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)26-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3


name: Pramocaine hydrochloride
cas: 637-58-1
chebiid: CHEBI:8358
formula: C17H27NO3.ClH
inchikey: SYCBXBCPLUFJID-UHFFFAOYSA-N
norman_susdat_id: NS00079835
smiles: Cl.CCCCOc1ccc(OCCCN2CCOCC2)cc1
inchi:
InChI=1/C17H27NO3.ClH/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18;/h5-8H,2-4,9-15H2,1H3;1H


name: Glycyl-glycyl-glycyl-glycine
cas: 637-84-3
chemspiderid: 62688
dtxsid: DTXSID50213103
formula: C8H14N4O5
inchikey: QMOQBVOBWVNSNO-UHFFFAOYSA-N
norman_susdat_id: NS00035563
pubchem_cid: 36688476
smiles: NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
inchi:
InChI=1S/C8H14N4O5/c9-1-5(13)10-2-6(14)11-3-7(15)12-4-8(16)17/h1-4,9H2,(H,10,13)(H,11,14)(H,12,15)(H,16,17)


name: 3-Amino-N-(2,4-dimethylphenyl)-4-methylbenzamide
cas: 6370-19-0
chemspiderid: 72898
dtxsid: DTXSID70213105
formula: C16H18N2O1
inchikey: RUEOLHBWSOMCKM-UHFFFAOYSA-N
norman_susdat_id: NS00035531
pubchem_cid: 80734
smiles: Cc1cc(C)c(NC(=O)c2cc(N)c(C)cc2)cc1
inchi:
InChI=1S/C16H18N2O/c1-10-4-7-15(12(3)8-10)18-16(19)13-6-5-11(2)14(17)9-13/h4-9H,17H2,1-3H3,(H,18,19)


name: 5-(3,5-dinitro-2-hydroxyphenylazo)-6-hydroxy-m-methylacetanilide
cas: 6370-46-3
formula: C15H15N5O7
inchikey: YRAINWPKPRBSTH-UHFFFAOYSA-N
norman_susdat_id: NS00044507
pubchem_cid: 3865782
smiles: O=C(NC1=CC(=CC(N=NC=2C=C(C=C(C2O)[N+](=O)[O-])[N+](=O)[O-])=C1O)C)C
inchi:
InChI=1/C15H13N5O7/c1-7-3-10(16-8(2)21)14(22)11(4-7)17-18-12-5-9(19(24)25)6-13(15(12)23)20(26)27/h3-6,22-23H,1-2H3,(H,16,21)


name: Benzamide, N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-
cas: 6370-58-7
chemspiderid: 72902
dtxsid: DTXSID8064274
formula: C28H18N2O6
inchikey: ZEHGHSSPZHUYPZ-UHFFFAOYSA-N
norman_susdat_id: NS00021280
pubchem_cid: 80742
smiles: Oc1c2C(=O)c3c(NC(=O)c4ccccc4)ccc(O)c3C(=O)c2c(NC(=O)c2ccccc2)cc1
inchi:
InChI=1S/C28H18N2O6/c31-19-13-11-17(29-27(35)15-7-3-1-4-8-15)21-23(19)26(34)22-18(12-14-20(32)24(22)25(21)33)30-28(36)16-9-5-2-6-10-16/h1-14,31-32H,(H,29,35)(H,30,36)


name: Disodium 4,5-diamino-9,10-dihydro-1,8-dihydroxy-9,10-dioxoanthracene-2,7-disulphonate
cas: 6370-62-3
formula: C14H10N2O10S2.2Na
inchikey: YXGHKPYEROOFCR-UHFFFAOYSA-L
norman_susdat_id: NS00080982
smiles: [Na+].[Na+].Nc1cc(c(O)c2C(=O)c3c(O)c(cc(N)c3C(=O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C14H10N2O10S2.2Na/c15-3-1-5(27(21,22)23)11(17)9-7(3)13(19)8-4(16)2-6(28(24,25)26)12(18)10(8)14(9)20;;/h1-2,17-18H,15-16H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: Ethanediamide, N,N'-bis[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]-
cas: 6370-75-8
chemspiderid: 141302
dtxsid: DTXSID8064276
formula: C44H26N4O8
inchikey: NIBQRIIYVCTBDX-UHFFFAOYSA-N
norman_susdat_id: NS00021281
pubchem_cid: 160823
inchi:
InChI=1S/C44H26N4O8/c49-37-27-17-9-21-31(35(27)39(51)25-15-7-19-29(33(25)37)45-41(53)23-11-3-1-4-12-23)47-43(55)44(56)48-32-22-10-18-28-36(32)40(52)26-16-8-20-30(34(26)38(28)50)46-42(54)24-13-5-2-6-14-24/h1-22H,(H,45,53)(H,46,54)(H,47,55)(H,48,56)

smiles:
O=C(Nc1c2C(=O)c3c(c(NC(=O)c4ccccc4)ccc3)C(=O)c2ccc1)C(=O)Nc1c2C(=O)c3c(c(NC(=O)c4ccccc4)ccc3)C(=O)c2ccc1


cas: 6370-77-0
chemspiderid: 17326207
dtxsid: DTXSID50213108
formula: C50H30N4O8
inchikey: ZWPSGIXLSNKJHA-UHFFFAOYSA-N
norman_susdat_id: NS00021282
pubchem_cid: 16197791
name:
N-(4-(Benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthryl)-N'-(5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthryl)isophthaldiamide

inchi:
InChI=1S/C50H30N4O8/c55-43-31-18-7-8-19-32(31)44(56)42-38(25-24-37(41(42)43)53-48(60)28-14-5-2-6-15-28)54-50(62)30-17-9-16-29(26-30)49(61)52-36-23-11-21-34-40(36)46(58)33-20-10-22-35(39(33)45(34)57)51-47(59)27-12-3-1-4-13-27/h1-26H,(H,51,59)(H,52,61)(H,53,60)(H,54,62)

smiles:
O=C(Nc1cccc2c1C(=O)c1cccc(NC(=O)c3cc(ccc3)C(=O)Nc3c4C(=O)c5c(cccc5)C(=O)c4c(NC(=O)c4ccccc4)cc3)c1C2=O)c1ccccc1


name: N,N'-Bis(5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthryl)isophthaldiamide
cas: 6370-78-1
chemspiderid: 17326208
dtxsid: DTXSID10213109
formula: C50H30N4O8
inchikey: BDJBNSLGNJXBDL-UHFFFAOYSA-N
norman_susdat_id: NS00021283
pubchem_cid: 16197792
inchi:
InChI=1S/C50H30N4O8/c55-43-33-20-10-24-37(41(33)45(57)31-18-8-22-35(39(31)43)51-47(59)27-12-3-1-4-13-27)53-49(61)29-16-7-17-30(26-29)50(62)54-38-25-11-21-34-42(38)46(58)32-19-9-23-36(40(32)44(34)56)52-48(60)28-14-5-2-6-15-28/h1-26H,(H,51,59)(H,52,60)(H,53,61)(H,54,62)

smiles:
O=C(Nc1cccc2c1C(=O)c1cccc(NC(=O)c3cc(ccc3)C(=O)Nc3c4C(=O)c5c(c(NC(=O)c6ccccc6)ccc5)C(=O)c4ccc3)c1C2=O)c1ccccc1


name: 9,10-Anthracenedione, 1-amino-4,8-dihydroxy-5-(phenylamino)-
cas: 6370-89-4
chemspiderid: 72905
dtxsid: DTXSID3064277
formula: C20H14N2O4
inchikey: BWAIAPNVNORHCV-UHFFFAOYSA-N
norman_susdat_id: NS00020219
pubchem_cid: 80745
smiles: Nc1ccc(O)c2c1C(=O)c1c(O)ccc(Nc3ccccc3)c1C2=O
inchi:
InChI=1S/C20H14N2O4/c21-11-6-8-13(23)17-15(11)19(25)18-14(24)9-7-12(16(18)20(17)26)22-10-4-2-1-3-5-10/h1-9,22-24H,21H2


name: Sodium 9,10-dihydro-1,5-dihydroxy-4,8-bis(methylamino)-9,10-dioxoanthracene-2-sulphonate
cas: 6370-91-8
dtxsid: DTXSID20213110
formula: C16H14N2O7S
inchikey: XOHRRWJKOPPAKU-UHFFFAOYSA-M
norman_susdat_id: NS00043861
pubchem_cid: 3014463
smiles: [Na+].O=C1C=2C(O)=CC=C(NC)C2C(=O)C3=C(O)C(=CC(NC)=C13)S(=O)(=O)[O-]
inchi:
InChI=1/C16H14N2O7S.Na/c1-17-6-3-4-8(19)12-10(6)16(22)13-11(15(12)21)7(18-2)5-9(14(13)20)26(23,24)25;/h3-5,17-20H,1-2H3,(H,23,24,25);/q;+1/p-1


cas: 6370-93-0
formula: C16H14N2O16S4.4Na
inchikey: JSDXKZGBEIYAFT-UHFFFAOYSA-J
norman_susdat_id: NS00081270
name:
Tetrasodium 9,10-dihydro-1,5-dihydroxy-9,10-dioxo-4,8-bis[(sulphonatomethyl)amino]anthracene-2,6-disulphonate

inchi:
InChI=1/C16H14N2O16S4.4Na/c19-13-7(37(29,30)31)1-5(17-3-35(23,24)25)9-11(13)16(22)10-6(18-4-36(26,27)28)2-8(38(32,33)34)14(20)12(10)15(9)21;;;;/h1-2,17-20H,3-4H2,(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].Oc1c2C(=O)c3c(NCS(=O)(=O)[O-])cc(c(O)c3C(=O)c2c(NCS(=O)(=O)[O-])cc1S(=O)(=O)[O-])S(=O)(=O)[O-]


name: Benzamide, N,N'-(9,10-dihydro-4-hydroxy-9,10-dioxo-1,5-anthracenediyl)bis-(9CI)
cas: 6370-96-3
chemspiderid: 87102
dtxsid: DTXSID80213111
formula: C28H18N2O5
inchikey: GLIQRROTAUIWKA-UHFFFAOYSA-N
norman_susdat_id: NS00035536
pubchem_cid: 96484
smiles: Oc1c2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c2c(NC(=O)c2ccccc2)cc1
inchi:
InChI=1S/C28H18N2O5/c31-21-15-14-20(30-28(35)17-10-5-2-6-11-17)23-24(21)26(33)22-18(25(23)32)12-7-13-19(22)29-27(34)16-8-3-1-4-9-16/h1-15,31H,(H,29,34)(H,30,35)


name: 6-chloro-2-(6-methoxy-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methylbenzo[b]thiophene-3(2H)-one
cas: 6371-19-3
formula: C18H11ClO3S2
inchikey: RKCISMQZUPCBNF-UHFFFAOYSA-N
norman_susdat_id: NS00044490
pubchem_cid: 111200
smiles: O=C1C(SC2=CC(OC)=CC=C12)=C3SC4=CC(Cl)=CC(=C4C3=O)C
inchi:
InChI=1/C18H11ClO3S2/c1-8-5-9(19)6-13-14(8)16(21)18(24-13)17-15(20)11-4-3-10(22-2)7-12(11)23-17/h3-7H,1-2H3


cas: 6371-23-9
chemspiderid: 2299260
dtxsid: DTXSID3064279
formula: C18H9Cl3O2S2
inchikey: TULCTDCFTZEZKK-UHFFFAOYSA-N
norman_susdat_id: NS00021284
pubchem_cid: 111201
smiles: Cc1cc(Cl)cc2c1C(=O)/C(=C1/Sc3c(C1=O)c(C)c(Cl)cc3Cl)/S2
name:
Benzo[b]thiophen-3(2H)-one, 5,7-dichloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methyl-

inchi:
InChI=1S/C18H9Cl3O2S2/c1-6-3-8(19)4-11-12(6)14(22)17(24-11)18-15(23)13-7(2)9(20)5-10(21)16(13)25-18/h3-5H,1-2H3/b18-17-


name: 5,7-dichloro-2-(5,7-dichloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one
cas: 6371-38-6
formula: C16H6Cl4N2O2
inchikey: ZMTSIOINQVCKKT-UHFFFAOYSA-N
norman_susdat_id: NS00043862
pubchem_cid: NA
smiles: O=C1C=2C=C(Cl)C=C(Cl)C2NC1=C3NC=4C(Cl)=CC(Cl)=CC4C3=O
inchi:
InChI=1/C16H6Cl4N2O2/c17-5-1-7-11(9(19)3-5)21-13(15(7)23)14-16(24)8-2-6(18)4-10(20)12(8)22-14/h1-4,21-22H


cas: 6371-50-2
chemspiderid: 4588173
dtxsid: DTXSID2064280
formula: C36H19N3O5S1
inchikey: LSCZRKJYCZGWDE-UHFFFAOYSA-N
norman_susdat_id: NS00021285
pubchem_cid: 5483377
smiles: Nc1c2C(=O)c3c(cccc3)C(=O)c2c(NC(=O)c2ccccc2)cc1c1nc2cc3c(cc2s1)C(=O)c1ccccc1C3=O
name:
Benzamide, N-[4-amino-3-(5,10-dihydro-5,10-dioxoanthra[2,3-d]thiazol-2-yl)-9,10-dihydro-9,10-dioxo-1-anthracenyl]-

inchi:
InChI=1S/C36H19N3O5S/c37-30-24(36-39-25-14-22-23(16-27(25)45-36)32(41)19-11-5-4-10-18(19)31(22)40)15-26(38-35(44)17-8-2-1-3-9-17)28-29(30)34(43)21-13-7-6-12-20(21)33(28)42/h1-16H,37H2,(H,38,44)


name: Benzoic acid, 2-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-
cas: 6371-55-7
chemspiderid: 72908
dtxsid: DTXSID7064281
formula: C17H19N3O4
inchikey: KAOXHXDKFGCWPK-UHFFFAOYSA-N
norman_susdat_id: NS00019832
pubchem_cid: 80750
smiles: OCCN(CCO)c1ccc(cc1)N=Nc1c(cccc1)C(=O)O
inchi:
InChI=1S/C17H19N3O4/c21-11-9-20(10-12-22)14-7-5-13(6-8-14)18-19-16-4-2-1-3-15(16)17(23)24/h1-8,21-22H,9-12H2,(H,23,24)/b19-18+


name: Strontium 2-[(2-hydroxy-1-naphthyl)azo]naphthalenesulphonate(1:2)
cas: 6371-67-1
formula: C20H14N2O4S.1/2Sr
inchikey: IXBODSOQRVLQBP-UHFFFAOYSA-L
norman_susdat_id: NS00080996
smiles: [SrH2].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O.[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O
inchi:
InChI=1/2C20H14N2O4S.Sr.2H/c2*23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26;;;/h2*1-12,23H,(H,24,25,26);;;/q;;+2;;/p-2/r2C20H14N2O4S.H2Sr/c2*23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26;/h2*1-12,23H,(H,24,25,26);1H2/q;;+2/p-2


name: D&amp;C Red No. 31
cas: 6371-76-2
dtxsid: DTXSID7064283
formula: C17H12N2O3
inchikey: CYHOWEBNQPOWEI-UHFFFAOYSA-L
norman_susdat_id: NS00044548
pubchem_cid: 80753
smiles: [Ca+2].O=C([O-])C1=CC=2C=CC=CC2C(N=NC=3C=CC=CC3)=C1O.O=C([O-])C1=CC=2C=CC=CC2C(N=NC=3C=CC=CC3)=C1O
inchi:
InChI=1/2C17H12N2O3.Ca/c2*20-16-14(17(21)22)10-11-6-4-5-9-13(11)15(16)19-18-12-7-2-1-3-8-12;/h2*1-10,20H,(H,21,22);/q;;+2/p-2


name: Sodium 4-[[3-[(2,4-dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulphonate
cas: 6371-84-2
formula: C20H18N4O5S
inchikey: FIKBURFLPVUDAX-UHFFFAOYSA-M
norman_susdat_id: NS00043863
pubchem_cid: 136675507
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(O)C(N=NC3=CC=C(C=C3C)C)=C2O)C=C1
inchi:
InChI=1/C20H18N4O5S.Na/c1-12-3-8-16(13(2)11-12)22-24-19-18(25)10-9-17(20(19)26)23-21-14-4-6-15(7-5-14)30(27,28)29;/h3-11,25-26H,1-2H3,(H,27,28,29);/q;+1/p-1


name: Butanamide, 2-[2-(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)-3-oxo-
cas: 6371-96-6
chemspiderid: 85806
dtxsid: DTXSID20863770
formula: C18H18N4O5
inchikey: FNFZZQUKYRHMTI-QZQOTICOSA-N
norman_susdat_id: NS00013466
pubchem_cid: NA
smiles: COc1ccc(N=NC(C(C)=O)C(=O)Nc2ccccc2C)c(c1)[N+]([O-])=O
inchi:
InChI=1S/C18H18N4O5/c1-11-6-4-5-7-14(11)19-18(24)17(12(2)23)21-20-15-9-8-13(27-3)10-16(15)22(25)26/h4-10,17H,1-3H3,(H,19,24)


name: Aluminium pentadecanoate
cas: 63718-62-7
formula: C15H30O2.1/3Al
inchikey: SMYVRNHZWXIWRM-UHFFFAOYSA-K
norman_susdat_id: NS00087459
smiles: [Al+3].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C15H30O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h3*2-14H2,1H3,(H,16,17);/q;;;+3/p-3


name: Phosphine, cyclohexyldiphenyl-
cas: 6372-42-5
chemspiderid: 72911
dtxsid: DTXSID6074671
formula: C18H21P1
inchikey: ZXKWUYWWVSKKQZ-UHFFFAOYSA-N
norman_susdat_id: NS00021286
pubchem_cid: 80756
smiles: C1CCC(CC1)P(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C18H21P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2


name: 3,7-bis(dimethylamino)phenothiazin-5-ium chloride, compound with zinc chloride
cas: 6372-69-6
formula: C16H18N3S.xCl2Zn.Cl
inchikey: HQIQJIHKIHNZTM-UHFFFAOYSA-K
norman_susdat_id: NS00081003
smiles: [Cl-].[Cl-].[Cl-].[Zn+2].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C
inchi:
InChI=1/C16H18N3S.3ClH.Zn/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;;;;/h5-10H,1-4H3;3*1H;/q+1;;;;+2/p-3


name: Barium bis[2-[(2-hydroxy-1-naphthyl)azo]benzoate]
cas: 6372-81-2
dtxsid: DTXSID90890619
formula: C17H12N2O3
inchikey: HEQCHSSPWMWXBH-UHFFFAOYSA-L
norman_susdat_id: NS00043864
pubchem_cid: 34481
smiles: [Ba+2].O=C([O-])C=1C=CC=CC1N=NC2=C(O)C=CC=3C=CC=CC32.O=C([O-])C=1C=CC=CC1N=NC2=C(O)C=CC=3C=CC=CC32
inchi:
InChI=1/2C17H12N2O3.Ba/c2*20-15-10-9-11-5-1-2-6-12(11)16(15)19-18-14-8-4-3-7-13(14)17(21)22;/h2*1-10,20H,(H,21,22);/q;;+2/p-2


cas: 6372-96-9
chebiid: CHEBI:90287
dtxsid: DTXSID70884278
formula: C23H19ClN4O7S2
inchikey: UMQAIKKJIZYHQC-UHFFFAOYSA-M
norman_susdat_id: NS00043865
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C1=CC(Cl)=CC=C1N2N=C(C(N=NC3=CC=C(OS(=O)(=O)C4=CC=C(C=C4)C)C=C3)=C2O)C
name:
Sodium 5-chloro-2-(5-hydroxy-3-methyl-4-(4-((4-methylphenyl)sulphonyloxy)phenylazo)pyrazol-1-yl)benzenesulphonate

inchi:
InChI=1/C23H19ClN4O7S2.Na/c1-14-3-10-19(11-4-14)37(33,34)35-18-8-6-17(7-9-18)25-26-22-15(2)27-28(23(22)29)20-12-5-16(24)13-21(20)36(30,31)32;/h3-13,29H,1-2H3,(H,30,31,32);/q;+1/p-1


name: Amines, tallow, 5+5 EO (R=H)
cas: 63721-06-2
chemspiderid: 57509523
dtxsid: DTXSID70803429
formula: C20H43NO10
inchikey: IDUORIHIPQGGGX-UHFFFAOYSA-N
norman_susdat_id: NS00095436
pubchem_cid: 71380945
smiles: OCCOCCOCCOCCOCCNCCOCCOCCOCCOCCO
inchi:
InChI=1S/C20H43NO10/c22-3-7-26-11-15-30-19-17-28-13-9-24-5-1-21-2-6-25-10-14-29-18-20-31-16-12-27-8-4-23/h21-23H,1-20H2


name: Flamprop-M-methyl
cas: 63729-98-6
chemspiderid: 4588802
dtxsid: DTXSID4058445
formula: C17H15Cl1F1N1O3
inchikey: RBNIGDFIUWJJEV-LLVKDONJSA-N
norman_susdat_id: NS00002154
pubchem_cid: 5486064
smiles: COC(=O)[C@@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1
inchi:
InChI=1S/C17H15ClFNO3/c1-11(17(22)23-2)20(13-8-9-15(19)14(18)10-13)16(21)12-6-4-3-5-7-12/h3-11H,1-2H3/t11-/m1/s1


name: Calcium bis[5-hydroxy-6-(naphthylazo)naphthalenesulphonate]
cas: 6373-10-0
dtxsid: DTXSID7064285
formula: C20H14N2O4S
inchikey: ZFKUYTWKBCZOQB-UHFFFAOYSA-L
norman_susdat_id: NS00045046
pubchem_cid: 79968
inchi:
InChI=1/2C20H14N2O4S.Ca/c2*23-20-16-8-4-10-19(27(24,25)26)15(16)11-12-18(20)22-21-17-9-3-6-13-5-1-2-7-14(13)17;/h2*1-12,23H,(H,24,25,26);/q;;+2/p-2

smiles:
[Ca+2].O=S(=O)([O-])C1=CC=CC2=C(O)C(N=NC3=CC=CC=4C=CC=CC34)=CC=C21.O=S(=O)([O-])C1=CC=CC2=C(O)C(N=NC3=CC=CC=4C=CC=CC34)=CC=C21


name: Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 3,12,16,17-tetrachloro-
cas: 6373-20-2
chemspiderid: 55328
dtxsid: DTXSID7064287
formula: C34H12Cl4O2
inchikey: DCIGCIBVJSBHMN-UHFFFAOYSA-N
norman_susdat_id: NS00020862
pubchem_cid: 61399
smiles: Clc1cc2c(cc1)c1cc(Cl)c3c4c(Cl)cc5c6ccc(Cl)cc6C(=O)c6c5c4c(cc6)c4c3c1c(cc4)C2=O
inchi:
InChI=1S/C34H12Cl4O2/c35-13-1-3-15-21-11-25(37)31-29-17(5-7-19(27(21)29)33(39)23(15)9-13)18-6-8-20-28-22(12-26(38)32(31)30(18)28)16-4-2-14(36)10-24(16)34(20)40/h1-12H


name: Vat Violet 14
cas: 6373-31-5
chemspiderid: 72917
dtxsid: DTXSID80213151
formula: C21H8Cl3N1O3
inchikey: SQAQTWYUQXFOMH-UHFFFAOYSA-N
norman_susdat_id: NS00001416
pubchem_cid: 80763
smiles: Clc1cc(Cl)c2[nH]c3c4C(=O)c5ccccc5C(=O)c4c(Cl)cc3c(=O)c2c1
inchi:
InChI=1S/C21H8Cl3NO3/c22-8-5-11-17(14(24)6-8)25-18-12(19(11)26)7-13(23)15-16(18)21(28)10-4-2-1-3-9(10)20(15)27/h1-7H,(H,25,26)


name: ACID ORANGE 3
cas: 6373-74-6
chemspiderid: 2591428
formula: C18H14N4O7S1
inchikey: OMOSYYVYEGXVHK-UHFFFAOYSA-N
norman_susdat_id: NS00013340
pubchem_cid: 3344848
smiles: [Na+].[O-][N+](=O)c1ccc(Nc2ccc(Nc3ccccc3)c(c2)[S]([O-])(=O)=O)c(c1)[N+]([O-])=O
inchi:
InChI=1S/C18H14N4O7S.Na/c23-21(24)14-7-9-15(17(11-14)22(25)26)20-13-6-8-16(18(10-13)30(27,28)29)19-12-4-2-1-3-5-12;/h1-11,19-20H,(H,27,28,29);/q;+1/p-1


name: ACID BROWN 13
cas: 6373-79-1
chemspiderid: 4957013
formula: C36H28N6O12S3
inchikey: SDOBKHZVBNIBHO-UHFFFAOYSA-N
norman_susdat_id: NS00013339
pubchem_cid: 6454705
inchi:
InChI=1S/C36H28N6O12S3.2Na/c43-41(44)33-21-27(13-17-29(33)39-25-11-15-31(35(19-25)56(49,50)51)37-23-7-3-1-4-8-23)55(47,48)28-14-18-30(34(22-28)42(45)46)40-26-12-16-32(36(20-26)57(52,53)54)38-24-9-5-2-6-10-24;;/h1-22,37-40H,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2

smiles:
[Na+].[Na+].[O-][N+](=O)c1cc(ccc1Nc2ccc(Nc3ccccc3)c(c2)[S]([O-])(=O)=O)[S](=O)(=O)c4ccc(Nc5ccc(Nc6ccccc6)c(c5)[S]([O-])(=O)=O)c(c4)[N+]([O-])=O


name: 2,2'-[[4-[(6-methoxybenzothiazol-2-yl)azo]phenyl]imino]bisethanol
cas: 6373-93-9
formula: C18H20N4O3S
inchikey: SJZTZHPYEJPQME-UHFFFAOYSA-N
norman_susdat_id: NS00044570
pubchem_cid: 80765
smiles: OCCN(C1=CC=C(N=NC2=NC=3C=CC(OC)=CC3S2)C=C1)CCO
inchi:
InChI=1/C18H20N4O3S/c1-25-15-6-7-16-17(12-15)26-18(19-16)21-20-13-2-4-14(5-3-13)22(8-10-23)9-11-24/h2-7,12,23-24H,8-11H2,1H3


name: Benzenamine, N,N-diethyl-4-[(2-methoxy-4-nitrophenyl)azo]-
cas: 6373-95-1
chemspiderid: 72920
dtxsid: DTXSID7064289
formula: C17H20N4O3
inchikey: SXHUBOLNSOIMCA-UHFFFAOYSA-N
norman_susdat_id: NS00021288
pubchem_cid: 80766
smiles: CCN(CC)c1ccc(cc1)N=Nc1ccc(cc1OC)[N+](=O)[O-]
inchi:
InChI=1S/C17H20N4O3/c1-4-20(5-2)14-8-6-13(7-9-14)18-19-16-11-10-15(21(22)23)12-17(16)24-3/h6-12H,4-5H2,1-3H3


name: N,N-diethyl-4[(2,4-dinitrophenyl)azo]aniline
cas: 6373-96-2
formula: C16H17N5O4
inchikey: MZKPZDRFDHZNND-UHFFFAOYSA-N
norman_susdat_id: NS00044571
pubchem_cid: 80767
smiles: O=N(=O)C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CC)C(=C1)N(=O)=O
inchi:
InChI=1/C16H17N5O4/c1-3-19(4-2)13-7-5-12(6-8-13)17-18-15-10-9-14(20(22)23)11-16(15)21(24)25/h5-11H,3-4H2,1-2H3


name: 4-(2-{[(1S)-1-(2-Aminophenyl)-3-methylbutyl]amino}-2-oxoethyl)-2-ethoxybenzoic acid
cas: 637301-29-2
chemspiderid: NA
dtxsid: DTXSID20652540
formula: C15H19N1O5
inchikey: IRTDHGMDHHAJIE-UHFFFAOYSA-N
norman_susdat_id: NS00002499
pubchem_cid: NA
smiles: COC(=O)C(C)N(C(=O)CC(O)=O)c1c(C)cccc1C
inchi:
InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)


name: N,N,N',N'-tetrakis(2,3-epoxypropyl)-m-xylene-a,a'-diamine
cas: 63738-22-7
dtxsid: DTXSID80867032
formula: C20H28N2O4
inchikey: SJPFBRJHYRBAGV-UHFFFAOYSA-N
norman_susdat_id: NS00054330
pubchem_cid: 113842
smiles: O1CC1CN(CC2=CC=CC(=C2)CN(CC3OC3)CC4OC4)CC5OC5
inchi:
InChI=1/C20H28N2O4/c1-2-15(5-21(7-17-11-23-17)8-18-12-24-18)4-16(3-1)6-22(9-19-13-25-19)10-20-14-26-20/h1-4,17-20H,5-14H2


name: Benzenamine, N-(2-chloroethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]-N-ethyl-3-methyl-
cas: 63741-10-6
chemspiderid: 102288
dtxsid: DTXSID3069984
formula: C17H17Cl3N4O2
inchikey: UGDJBKWHSWJSMB-UHFFFAOYSA-N
norman_susdat_id: NS00035542
pubchem_cid: 114213
smiles: CCN(CCCl)c1cc(C)c(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]
inchi:
InChI=1S/C17H17Cl3N4O2/c1-3-23(7-6-18)12-4-5-16(11(2)8-12)21-22-17-14(19)9-13(24(25)26)10-15(17)20/h4-5,8-10H,3,6-7H2,1-2H3/b22-21+


name: Benzenesulfonic acid, 3-[(1,3-dioxobutyl)amino]-4-methoxy-
cas: 6375-00-4
chemspiderid: 72926
dtxsid: DTXSID6064292
formula: C11H13N1O6S1
inchikey: ODRQFTFZXVRPDA-UHFFFAOYSA-N
norman_susdat_id: NS00005152
pubchem_cid: 80772
smiles: COc1ccc(cc1NC(=O)CC(C)=O)S(O)(=O)=O
inchi:
InChI=1S/C11H13NO6S/c1-7(13)5-11(14)12-9-6-8(19(15,16)17)3-4-10(9)18-2/h3-4,6H,5H2,1-2H3,(H,12,14)(H,15,16,17)


name: Disodium 4,4'-bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-ylazo)-1,1'-biphenyl-2,6'-disulphonate
cas: 6375-55-9
dtxsid: DTXSID90881406
formula: C32H26N8O8S2
inchikey: JPGWZMZHSAJJCL-UHFFFAOYSA-L
norman_susdat_id: NS00045114
pubchem_cid: 135519545
inchi:
InChI=1/C32H26N8O8S2.2Na/c1-19-29(31(41)39(37-19)23-9-5-3-6-10-23)35-33-21-13-15-25(27(17-21)49(43,44)45)26-16-14-22(18-28(26)50(46,47)48)34-36-30-20(2)38-40(32(30)42)24-11-7-4-8-12-24;;/h3-18,41-42H,1-2H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=C(N=NC2=C(O)N(N=C2C)C=3C=CC=CC3)C=CC1C4=CC=C(N=NC5=C(O)N(N=C5C)C=6C=CC=CC6)C=C4S(=O)(=O)[O-]


name: [[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylene]malonic acid
cas: 63754-83-6
dtxsid: DTXSID60980273
formula: C13H14O7
inchikey: GQCJZJRQPUJBML-UHFFFAOYSA-N
norman_susdat_id: NS00054331
pubchem_cid: 3017453
smiles: O=C(O)C(=CC1=CC=C(OCCO)C(OC)=C1)C(=O)O
inchi:
InChI=1/C13H14O7/c1-19-11-7-8(2-3-10(11)20-5-4-14)6-9(12(15)16)13(17)18/h2-3,6-7,14H,4-5H2,1H3,(H,15,16)(H,17,18)


name: Salverine
cas: 6376-26-7
chemspiderid: 59027
dtxsid: DTXSID60213199
formula: C19H24N2O2
inchikey: BOFYHBVFGWJLIZ-UHFFFAOYSA-N
norman_susdat_id: NS00007430
pubchem_cid: 65585
smiles: CCN(CC)CCOc1ccccc1C(=O)Nc1ccccc1
inchi:
InChI=1S/C19H24N2O2/c1-3-21(4-2)14-15-23-18-13-9-8-12-17(18)19(22)20-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,20,22)


name: Dipotassium 3,3'-methylenebisnaphthalene-2-sulphonate
cas: 63766-16-5
dtxsid: DTXSID30980326
formula: C21H16O6S2
inchikey: DMAKIGMBSNIBDJ-UHFFFAOYSA-L
norman_susdat_id: NS00054719
pubchem_cid: 44725
smiles: [K+].[K+].O=S(=O)([O-])C1=CC=2C=CC=CC2C=C1CC3=CC=4C=CC=CC4C=C3S(=O)(=O)[O-]
inchi:
InChI=1/C21H16O6S2.2K/c22-28(23,24)20-12-16-7-3-1-5-14(16)9-18(20)11-19-10-15-6-2-4-8-17(15)13-21(19)29(25,26)27;;/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


name: 1-(Butylamino)-4-hydroxyanthraquinone
cas: 63768-01-4
chemspiderid: 4957023
dtxsid: DTXSID40213213
formula: C18H17N1O3
inchikey: MLZFWBQTQKBDSJ-UHFFFAOYSA-N
norman_susdat_id: NS00035557
pubchem_cid: 6454715
smiles: CCCCNc1c2C(=O)c3c(cccc3)C(=O)c2c(O)cc1
inchi:
InChI=1S/C18H17NO3/c1-2-3-10-19-13-8-9-14(20)16-15(13)17(21)11-6-4-5-7-12(11)18(16)22/h4-9,19-20H,2-3,10H2,1H3


name: Apocodeine hydrochloride
cas: 6377-14-6
formula: C18H19NO2.ClH
inchikey: NIWCFXFECXNXGD-UHFFFAOYSA-N
norman_susdat_id: NS00081304
smiles: Cl.COc1ccc2CC3N(C)CCc4cccc(c34)c2c1O
inchi:
InChI=1/C18H19NO2.ClH/c1-19-9-8-11-4-3-5-13-16(11)14(19)10-12-6-7-15(21-2)18(20)17(12)13;/h3-7,14,20H,8-10H2,1-2H3;1H


name: 3-Amino-7-diethylamino-2-methyl-5-phenylphenazinium chloride
cas: 6378-81-0
chemspiderid: 15370764
formula: C23H25N4
inchikey: SEOCXSJKAABYSL-UHFFFAOYSA-N
norman_susdat_id: NS00020532
pubchem_cid: 22766789
smiles: CCN(CC)c1ccc2c(c1)[n+](c3cc(c(cc3n2)C)N)c4ccccc4.[Cl-]
inchi:
InChI=1S/C23H24N4/c1-4-26(5-2)18-11-12-20-22(14-18)27(17-9-7-6-8-10-17)23-15-19(24)16(3)13-21(23)25-20/h6-15,24H,4-5H2,1-3H3/p+1


name: Phenazinium, 3-(dimethylamino)-5-phenyl-7-(phenylamino)-, chloride
cas: 6378-82-1
chemspiderid: 23351823
formula: C26H24N4
inchikey: ZUBCWVATRZIBMC-UHFFFAOYSA-N
norman_susdat_id: NS00035566
pubchem_cid: NA
smiles: [Cl-].CN(C)C1=C[CH+]c2nc3ccc(Nc4ccccc4)cc3n(c3ccccc3)c2=C1
inchi:
InChI=1S/C26H24N4/c1-29(2)22-14-16-24-26(18-22)30(21-11-7-4-8-12-21)25-17-20(13-15-23(25)28-24)27-19-9-5-3-6-10-19/h3-15,17-18,27H,16H2,1-2H3


name: Phenazinium, 3-amino-2-methyl-5-phenyl-7-(phenylamino)-, chloride
cas: 6378-84-3
chemspiderid: 2032777
formula: C25H22N4
inchikey: GFJMDZQBQKXQQS-UHFFFAOYSA-N
norman_susdat_id: NS00035567
pubchem_cid: 2751619
smiles: [Cl-].CC1=C(N)C=c2n(c3ccccc3)c3cc(Nc4ccccc4)ccc3nc2[CH+]1
inchi:
InChI=1S/C25H22N4/c1-17-14-23-25(16-21(17)26)29(20-10-6-3-7-11-20)24-15-19(12-13-22(24)28-23)27-18-8-4-2-5-9-18/h2-13,15-16,27H,14,26H2,1H3


name: 1,2,4-trichloro-7-[(3-chlorophenyl)amino]-9-methyl-3H-phenothiazin-3-one
cas: 6379-03-9
dtxsid: DTXSID00980358
formula: C19H10Cl4N2OS
inchikey: KNLLLQJFRZYLSV-UHFFFAOYSA-N
norman_susdat_id: NS00044537
pubchem_cid: 80788
smiles: O=C1C(Cl)=C(Cl)C2=NC3=C(SC2=C1Cl)C=C(C=C3C)NC=4C=CC=C(Cl)C4
inchi:
InChI=1/C19H10Cl4N2OS/c1-8-5-11(24-10-4-2-3-9(20)6-10)7-12-16(8)25-17-13(21)14(22)18(26)15(23)19(17)27-12/h2-7,24H,1H3


name: 2-((4-((4-Hydroxyphenyl)amino)phenyl)amino)benzoic acid
cas: 6379-19-7
chemspiderid: 72662
dtxsid: DTXSID40213233
formula: C19H16N2O3
inchikey: GPQHBELCRDGQQZ-UHFFFAOYSA-N
norman_susdat_id: NS00035570
pubchem_cid: 80789
smiles: OC(=O)c1c(Nc2ccc(Nc3ccc(O)cc3)cc2)cccc1
inchi:
InChI=1S/C19H16N2O3/c22-16-11-9-14(10-12-16)20-13-5-7-15(8-6-13)21-18-4-2-1-3-17(18)19(23)24/h1-12,20-22H,(H,23,24)


name: 5-oxo-L-proline, compound with 2-amino-1,5-dihydro-1-methyl-4H-imidazol-4-one (1:1)
cas: 63791-44-6
formula: C5H7NO3.C4H7N3O
inchikey: VNJQFFGBEYGRAE-DFWYDOINSA-N
norman_susdat_id: NS00087985
smiles: CN1CC(=O)N=C1N.OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1/C5H7NO3.C4H7N3O/c7-4-2-1-3(6-4)5(8)9;1-7-2-3(8)6-4(7)5/h3H,1-2H2,(H,6,7)(H,8,9);2H2,1H3,(H2,5,6,8)


name: Stearic anhydride
cas: 638-08-4
formula: C36H70O3
inchikey: WVJVHUWVQNLPCR-UHFFFAOYSA-N
norman_susdat_id: NS00041694
pubchem_cid: 69485
smiles: O=C(OC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C36H70O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3


name: Triacontane
cas: 638-68-6
chebiid: CHEBI:31006
chemspiderid: 12018
dtxsid: DTXSID0060935
formula: C30H62
inchikey: JXTPJDDICSTXJX-UHFFFAOYSA-N
norman_susdat_id: NS00010795
pubchem_cid: 12535
smiles: C(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCC
inchi:
InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3


name: Desonide
cas: 638-94-8
chebiid: CHEBI:204734
chemspiderid: 4470603
dtxsid: DTXSID7046756
formula: C24H32O6
inchikey: WBGKWQHBNHJJPZ-LECWWXJVSA-N
norman_susdat_id: NS00010533
pubchem_cid: 5311066
smiles: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@]35C)O
inchi:
InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1


name: Urs-12-en-3ß-ol
cas: 638-95-9
chebiid: CHEBI:10213
formula: C30H50O
inchikey: FSLPMRQHCOLESF-SFMCKYFRSA-N
norman_susdat_id: NS00042072
pubchem_cid: 73170
smiles: OC1CCC2(C)C(CCC3(C)C2CC=C4C5C(C)C(C)CCC5(C)CCC43C)C1(C)C
inchi:
InChI=1/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3


name: Nomifensine acetate
cas: 63806-80-4
chemspiderid: 533503
dtxsid: DTXSID10346643
formula: C18H20N2O
inchikey: UJROOBBEEKKHHV-UHFFFAOYSA-N
norman_susdat_id: NS00114076
pubchem_cid: 613765
smiles: CN1CC(C2=CC=CC=C2)C2=C(C1)C(NC(C)=O)=CC=C2
inchi:
InChI=1S/C18H20N2O/c1-13(21)19-18-10-6-9-15-16(11-20(2)12-17(15)18)14-7-4-3-5-8-14/h3-10,16H,11-12H2,1-2H3,(H,19,21)


cas: 63811-40-5
formula: C13H10N4O4S2
inchikey: LFYHUCUXVULCOB-UHFFFAOYSA-N
norman_susdat_id: NS00087514
smiles: O=C2NC(=S)NC(=O)C2C=CC=C\C=C1/C(=O)NC(=S)NC1=O
name:
5-[5-(hexahydro-4,6-dioxo-2-thioxopyrimidin-5-yl)-2,4-pentadienylidene]dihydro-2-thioxo-1H,5H-pyrimidine-4,6-dione

inchi:
InChI=1/C13H10N4O4S2/c18-8-6(9(19)15-12(22)14-8)4-2-1-3-5-7-10(20)16-13(23)17-11(7)21/h1-6H,(H2,14,15,18,19,22)(H2,16,17,20,21,23)


name: N-Butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazin-2-amine
cas: 63812-63-5
chemspiderid: 4957034
dtxsid: DTXSID20213256
formula: C16H27Cl2N5
inchikey: GFFYOTUTUOQYLA-UHFFFAOYSA-N
norman_susdat_id: NS00035574
pubchem_cid: 6454726
smiles: CCCCN(C1CC(C)(C)NC(C)(C)C1)c1nc(Cl)nc(Cl)n1
inchi:
InChI=1S/C16H27Cl2N5/c1-6-7-8-23(14-20-12(17)19-13(18)21-14)11-9-15(2,3)22-16(4,5)10-11/h11,22H,6-10H2,1-5H3


cas: 63815-64-5
formula: C28H34N2O5S2Se
inchikey: GDNHWQHMPIKQLF-UHFFFAOYSA-N
norman_susdat_id: NS00087260
smiles: [O-]S(=O)(=O)CCCC[n+]3c4cc(C)c(OC)cc4sc3C=C(CC)C=C2[Se]c1ccc(cc1N2CC)OC
name:
2-[2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-3-(4-sulphonatobutyl)benzothiazolium

inchi:
InChI=1/C28H34N2O5S2Se/c1-6-20(16-28-29(7-2)23-17-21(34-4)10-11-26(23)38-28)15-27-30(12-8-9-13-37(31,32)33)22-14-19(3)24(35-5)18-25(22)36-27/h10-11,14-18H,6-9,12-13H2,1-5H3


name: 1H-Benzimidazolium, 1,2-dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt
cas: 63815-69-0
chemspiderid: 102327
dtxsid: DTXSID2069991
formula: C14H18F3N2O3S1
inchikey: HLCIRQVUJGLUEU-UHFFFAOYSA-N
norman_susdat_id: NS00035575
pubchem_cid: 114267
smiles: Cn1c(C)[n+](CCCCS(=O)(=O)[O-])c2cc(ccc12)C(F)(F)F
inchi:
InChI=1S/C14H17F3N2O3S/c1-10-18(2)12-6-5-11(14(15,16)17)9-13(12)19(10)7-3-4-8-23(20,21)22/h5-6,9H,3-4,7-8H2,1-2H3/p+1


name: 1-benzyl-6-methoxy-2-[[3-(4-sulphonatobutyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium
cas: 63815-75-8
formula: C29H28N2O4SSe
inchikey: ZTHVSASDZJTOBJ-UHFFFAOYSA-N
norman_susdat_id: NS00087275
smiles: [O-]S(=O)(=O)CCCCN4c5ccccc5[Se]C4=Cc2ccc3cc(OC)ccc3[n+]2Cc1ccccc1
inchi:
InChI=1/C29H28N2O4SSe/c1-35-25-15-16-26-23(19-25)13-14-24(31(26)21-22-9-3-2-4-10-22)20-29-30(17-7-8-18-36(32,33)34)27-11-5-6-12-28(27)37-29/h2-6,9-16,19-20H,7-8,17-18,21H2,1H3


cas: 63815-82-7
dtxsid: DTXSID30886314
formula: C25H27N2O4S2
inchikey: YKWBMACHHTUCPG-UHFFFAOYSA-M
norman_susdat_id: NS00055696
pubchem_cid: NA
smiles: [Br-].OCCN1C(SC2=CC(OC)=CC=C21)=CC=CC=CC=3SC=4C=C(OC)C=CC4[N+]3CCO
name:
3-(2-hydroxyethyl)-2-[5-[3-(2-hydroxyethyl)-6-methoxy-3H-benzothiazol-2-ylidene]penta-1,3-dienyl]-6-methoxybenzothiazolium bromide

inchi:
InChI=1/C25H27N2O4S2.BrH/c1-30-18-8-10-20-22(16-18)32-24(26(20)12-14-28)6-4-3-5-7-25-27(13-15-29)21-11-9-19(31-2)17-23(21)33-25;/h3-11,16-17,28-29H,12-15H2,1-2H3;1H/q+1;/p-1


cas: 63815-83-8
dtxsid: DTXSID90886315
formula: C30H27N2OS3
inchikey: DBRUMENGKOETDA-UHFFFAOYSA-M
norman_susdat_id: NS00054392
pubchem_cid: NA
smiles: [I-].O(C=1C=C2SC(=CC(=CC=3SC4=CC=C5C=CC=CC5=C4[N+]3C)C=6SC=CC6)N(C2=CC1C)CC)C
name:
2-[3-(3-ethyl-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene)-2-(2-thienyl)-1-propenyl]-1-methylnaphtho[1,2-d]thiazolium iodide

inchi:
InChI=1/C30H27N2OS3.HI/c1-5-32-23-15-19(2)24(33-4)18-27(23)36-29(32)17-21(25-11-8-14-34-25)16-28-31(3)30-22-10-7-6-9-20(22)12-13-26(30)35-28;/h6-18H,5H2,1-4H3;1H/q+1;/p-1


cas: 63815-86-1
chemspiderid: 102063
dtxsid: DTXSID7069998
formula: C27H29F6N4O6S2
inchikey: IUNMFJCYRMCJST-UHFFFAOYSA-M
norman_susdat_id: NS00035576
pubchem_cid: NA
name:
1H-Benzimidazolium, 2-[3-[1,3-dihydro-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt

inchi:
InChI=1S/C27H28F6N4O6S2/c1-34-20-10-8-18(26(28,29)30)16-22(20)36(12-4-14-44(38,39)40)24(34)6-3-7-25-35(2)21-11-9-19(27(31,32)33)17-23(21)37(25)13-5-15-45(41,42)43/h3,6-11,16-17H,4-5,12-15H2,1-2H3,(H-,38,39,40,41,42,43)/p+1

smiles:
[Na+].Cn1/c(=CC=Cc2[n+](CCCS(=O)(=O)[O-])c3c(ccc(c3)C(F)(F)F)n2C)/n(CCCS(=O)(=O)[O-])c2c1ccc(c2)C(F)(F)F


name: 3-Thiazolidineacetic acid, 4-oxo-5-[[3-(phenylmethyl)-2(3H)-benzoxazolylidene]ethylidene]-2-thioxo-
cas: 63815-90-7
chemspiderid: 102067
dtxsid: DTXSID2069999
formula: C21H16N2O4S2
inchikey: DQAIDCLYYZYFRB-UHFFFAOYSA-N
norman_susdat_id: NS00035577
pubchem_cid: 113895
smiles: OC(=O)CN1C(=S)S/C(=CC=c2/oc3c(cccc3)n2Cc2ccccc2)/C1=O
inchi:
InChI=1S/C21H16N2O4S2/c24-19(25)13-23-20(26)17(29-21(23)28)10-11-18-22(12-14-6-2-1-3-7-14)15-8-4-5-9-16(15)27-18/h1-11H,12-13H2,(H,24,25)/b17-10-,18-11-


cas: 63815-94-1
dtxsid: DTXSID40886320
formula: C27H33N2O3S2
inchikey: FQITWMPLHQNZBR-UHFFFAOYSA-M
norman_susdat_id: NS00054768
pubchem_cid: NA
smiles: [I-].OCCN1C(SC2=CC(OC)=C(C=C21)C)=CC(=CC=3SC=4C=C(OC)C(=CC4[N+]3CC)C)CC
name:
3-ethyl-2-[2-[[3-(2-hydroxyethyl)-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide

inchi:
InChI=1/C27H33N2O3S2.HI/c1-7-19(13-26-28(8-2)20-11-17(3)22(31-5)15-24(20)33-26)14-27-29(9-10-30)21-12-18(4)23(32-6)16-25(21)34-27;/h11-16,30H,7-10H2,1-6H3;1H/q+1;/p-1


cas: 63815-95-2
dtxsid: DTXSID00886321
formula: C28H33N2O4S2
inchikey: MSHWWNISDBKPTN-UHFFFAOYSA-N
norman_susdat_id: NS00054769
pubchem_cid: NA
smiles: [I-].O=C(O)CC[N+]1=C(SC=2C=C(OC)C(=CC21)C)C=C(C=C3SC4=CC(OC)=C(C=C4N3CC)C)CC
name:
3-(2-carboxyethyl)-2-[2-[(3-ethyl-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide

inchi:
InChI=1/C28H32N2O4S2.HI/c1-7-19(13-26-29(8-2)20-11-17(3)22(33-5)15-24(20)35-26)14-27-30(10-9-28(31)32)21-12-18(4)23(34-6)16-25(21)36-27;/h11-16H,7-10H2,1-6H3;1H


name: 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethylbenzothiazolium bromide
cas: 63815-99-6
dtxsid: DTXSID60886322
formula: C12H16NO2S
inchikey: OCVYRSMBENZCER-UHFFFAOYSA-M
norman_susdat_id: NS00054848
pubchem_cid: 114283
smiles: [Br-].OCC[N+]=1C=2C=C(C(OC)=CC2SC1C)C
inchi:
InChI=1/C12H16NO2S.BrH/c1-8-6-10-12(7-11(8)15-3)16-9(2)13(10)4-5-14;/h6-7,14H,4-5H2,1-3H3;1H/q+1;/p-1


name: 3-ethyl-6-methoxy-5-methyl-2-[2-(methylthio)but-1-enyl]benzothiazolium iodide
cas: 63816-01-3
dtxsid: DTXSID20886323
formula: C16H22NOS2
inchikey: LMZNVANCBNRMPZ-UHFFFAOYSA-M
norman_susdat_id: NS00055697
pubchem_cid: 113902
smiles: [I-].O(C1=CC=2SC(C=C(SC)CC)=[N+](C2C=C1C)CC)C
inchi:
InChI=1/C16H22NOS2.HI/c1-6-12(19-5)9-16-17(7-2)13-8-11(3)14(18-4)10-15(13)20-16;/h8-10H,6-7H2,1-5H3;1H/q+1;/p-1


name: 1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt
cas: 63816-04-6
chemspiderid: 102347
dtxsid: DTXSID2070003
formula: C15H19Cl1F3N2O3S1
inchikey: CCAPDUBSGCCVEZ-UHFFFAOYSA-N
norman_susdat_id: NS00035578
pubchem_cid: 114288
smiles: CCn1c(C)[n+](CCCCS(=O)(=O)[O-])c2cc(c(Cl)cc12)C(F)(F)F
inchi:
InChI=1S/C15H18ClF3N2O3S/c1-3-20-10(2)21(6-4-5-7-25(22,23)24)13-8-11(15(17,18)19)12(16)9-14(13)20/h8-9H,3-7H2,1-2H3/p+1


cas: 63816-06-8
formula: C35H29ClN6O
inchikey: CXKNWSPBCJLKBW-QPNALZDCSA-N
norman_susdat_id: NS00054393
pubchem_cid: NA
name:
6-chloro-2-[2-(1-ethyl-2,3-dihydro-5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)vinyl]-1,3-diphenyl-1H-imidazo[4,5-b]quinoxalinium perchlorate

inchi:
InChI=1/C35H29ClN6O.ClHO4/c1-3-39-24(2)29(35(43)42(39)28-17-11-6-12-18-28)20-22-32-40(26-13-7-4-8-14-26)33-34(41(32)27-15-9-5-10-16-27)38-31-23-25(36)19-21-30(31)37-33;2-1(3,4)5/h4-23,32H,3H2,1-2H3;(H,2,3,4,5)

smiles:
O=C1C(C=CC2N(C=3C=CC=CC3)C4=NC=5C=C(Cl)C=CC5N=C4[NH+]2C=6C=CC=CC6)=C(N(N1C=7C=CC=CC7)CC)C.O=Cl(=O)(=O)[O-]


name: 1-benzyl-6-methoxy-2-[[3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium
cas: 63816-07-9
formula: C28H26N2O4SSe
inchikey: JPJKPLMLKCYKKM-UHFFFAOYSA-N
norman_susdat_id: NS00088011
smiles: [O-]S(=O)(=O)CCCN4c5ccccc5[Se]C4=Cc2ccc3cc(OC)ccc3[n+]2Cc1ccccc1
inchi:
InChI=1/C28H26N2O4SSe/c1-34-24-14-15-25-22(18-24)12-13-23(30(25)20-21-8-3-2-4-9-21)19-28-29(16-7-17-35(31,32)33)26-10-5-6-11-27(26)36-28/h2-6,8-15,18-19H,7,16-17,20H2,1H3


name: 1-ethyl-2-(ethylthio)-6-methoxyquinolinium iodide
cas: 63816-13-7
dtxsid: DTXSID80886642
formula: C14H18NOS
inchikey: NVYHFXSCBIFCJF-UHFFFAOYSA-M
norman_susdat_id: NS00054394
pubchem_cid: 114298
smiles: [I-].O(C1=CC=C2C(C=CC(SCC)=[N+]2CC)=C1)C
inchi:
InChI=1/C14H18NOS.HI/c1-4-15-13-8-7-12(16-3)10-11(13)6-9-14(15)17-5-2;/h6-10H,4-5H2,1-3H3;1H/q+1;/p-1


cas: 63816-16-0
formula: C25H29N2OSSe.I
inchikey: CQAPUGWAMRGZBV-UHFFFAOYSA-M
norman_susdat_id: NS00087530
smiles: [I-].CC[n+]3c4ccc(C)cc4sc3C=C(CC)C=C2[Se]c1ccc(cc1N2CC)OC
name:
3-ethyl-2-[2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methylbenzothiazolium iodide

inchi:
InChI=1/C25H29N2OSSe.HI/c1-6-18(14-24-26(7-2)20-11-9-17(4)13-22(20)29-24)15-25-27(8-3)21-16-19(28-5)10-12-23(21)30-25;/h9-16H,6-8H2,1-5H3;1H/q+1;/p-1


cas: 63817-39-0
dtxsid: DTXSID50889822
formula: C27H22FN9O10S3
inchikey: DERXBASKAWGGIR-UHFFFAOYSA-K
norman_susdat_id: NS00054850
pubchem_cid: 114306
name:
Trisodium 7-[[2-[(aminocarbonyl)amino]-4-[[4-fluoro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonate

inchi:
InChI=1/C27H22FN9O10S3.3Na/c1-13-4-2-3-5-18(13)32-27-34-24(28)33-26(35-27)30-15-6-7-19(20(10-15)31-25(29)38)36-37-21-12-17-14(9-23(21)50(45,46)47)8-16(48(39,40)41)11-22(17)49(42,43)44;;;/h2-12H,1H3,(H3,29,31,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,30,32,33,34,35);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(N)NC1=CC(=CC=C1N=NC=2C=C3C(C=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])NC4=NC(F)=NC(=N4)NC=5C=CC=CC5C


cas: 63817-45-8
dtxsid: DTXSID80886647
formula: C27H31N2O
inchikey: NNBSQWDAIOZMOM-UHFFFAOYSA-M
norman_susdat_id: NS00054851
pubchem_cid: NA
smiles: [Cl-].OCCN1C=2C=CC(=CC2C(C)CC1(C)C)C=3C4=CC=CC=5C=CC=C(C54)[N+]3CC
name:
1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolyl]benz[cd]indolium chloride

inchi:
InChI=1/C27H31N2O.ClH/c1-5-28-24-11-7-9-19-8-6-10-21(25(19)24)26(28)20-12-13-23-22(16-20)18(2)17-27(3,4)29(23)14-15-30;/h6-13,16,18,30H,5,14-15,17H2,1-4H3;1H/q+1;/p-1


name: Aliconazole
cas: 63824-12-4
formula: C18H13Cl3N2
inchikey: WNGFKUOERJDDIY-UHFFFAOYSA-N
norman_susdat_id: NS00054395
pubchem_cid: NA
smiles: ClC1=CC=C(C=C1)C(=CC2=CC=C(Cl)C=C2Cl)CN3C=NC=C3
inchi:
InChI=1/C18H13Cl3N2/c19-16-4-1-13(2-5-16)15(11-23-8-7-22-12-23)9-14-3-6-17(20)10-18(14)21/h1-10,12H,11H2


name: 4'-nitro-2-phthalimidoglutaranilic acid
cas: 6383-73-9
dtxsid: DTXSID50866592
formula: C19H15N3O7
inchikey: YQMYCLQUUAANHT-UHFFFAOYSA-N
norman_susdat_id: NS00044623
pubchem_cid: 110838
smiles: O=C(O)C(N1C(=O)C=2C=CC=CC2C1=O)CCC(=O)NC3=CC=C(C=C3)N(=O)=O
inchi:
InChI=1/C19H15N3O7/c23-16(20-11-5-7-12(8-6-11)22(28)29)10-9-15(19(26)27)21-17(24)13-3-1-2-4-14(13)18(21)25/h1-8,15H,9-10H2,(H,20,23)(H,26,27)


name: (2-hydroxyethyl)(methyl)[2-(stearoyloxy)ethyl]ammonium methyl sulphate
cas: 63833-73-8
dtxsid: DTXSID10886650
formula: C23H47NO3
inchikey: HHYKNKLBRWWVOD-UHFFFAOYSA-N
norman_susdat_id: NS00054770
pubchem_cid: 114308
smiles: O=C(OCC[NH+](C)CCO)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C23H47NO3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-22-20-24(2)19-21-25;1-5-6(2,3)4/h25H,3-22H2,1-2H3;1H3,(H,2,3,4)


cas: 63833-78-3
chemspiderid: 102370
dtxsid: DTXSID6070011
formula: C27H28N8O5
inchikey: BIDDYYRWQMXLEP-UHFFFAOYSA-N
norman_susdat_id: NS00020014
pubchem_cid: 114311
smiles: Cc1c(N=Nc2c(cc(cc2)[N+](=O)[O-])C#N)c(NCCO)nc(NCCCOCCOc2ccccc2)c1C#N
name:
3-Pyridinecarbonitrile, 5-[(2-cyano-4-nitrophenyl)azo]-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[3-(2-phenoxyethoxy)propyl]amino]-

inchi:
InChI=1S/C27H28N8O5/c1-19-23(18-29)26(30-10-5-13-39-14-15-40-22-6-3-2-4-7-22)32-27(31-11-12-36)25(19)34-33-24-9-8-21(35(37)38)16-20(24)17-28/h2-4,6-9,16,36H,5,10-15H2,1H3,(H2,30,31,32)/b34-33+


name: Octadecanoic acid, 2-[(2-hydroxyethyl)amino]ethyl ester
cas: 63833-80-7
chemspiderid: 102371
dtxsid: DTXSID1070012
formula: C22H45N1O3
inchikey: QZEJJPSZCXBLAI-UHFFFAOYSA-N
norman_susdat_id: NS00020220
pubchem_cid: 114312
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCNCCO
inchi:
InChI=1S/C22H45NO3/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/h23-24H,2-21H2,1H3


cas: 63833-82-9
formula: C21H43NO
norman_susdat_id: NS00101818
name:
Sulfuric acid, monomethyl ester, compd. with .alpha.-[2-[methyl-(9Z)-9-octadecenylamino]ethyl]-.omega.-hydroxypoly(oxy-1,2-ethanediyl) (1:1)


cas: 63834-90-2
chemspiderid: 102119
dtxsid: DTXSID6070013
formula: C33H23Cl1N6O1
inchikey: WQQIRVDPRMDMIL-UHFFFAOYSA-N
norman_susdat_id: NS00035587
pubchem_cid: 113948
smiles: CC1=NN(C(=O)/C/1=CC=c1/n(c2nc3ccc(Cl)cc3nc2n1c1ccccc1)c1ccccc1)c1ccccc1
name:
3H-Pyrazol-3-one, 4-[(6-chloro-1,3-dihydro-1,3-diphenyl-2H-imidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-2,4-dihydro-5-methyl-2-phenyl-

inchi:
InChI=1S/C33H23ClN6O/c1-22-27(33(41)40(37-22)26-15-9-4-10-16-26)18-20-30-38(24-11-5-2-6-12-24)31-32(39(30)25-13-7-3-8-14-25)36-29-21-23(34)17-19-28(29)35-31/h2-21H,1H3/b27-18-,30-20+


name: Diofenolan (I)
cas: 63837-33-2
chemspiderid: 3770710
dtxsid: DTXSID2041884
formula: C18H20O4
inchikey: ZDOOQPFIGYHZFV-UHFFFAOYSA-N
norman_susdat_id: NS00073913
pubchem_cid: 4578030
smiles: CCC1OCC(COC2=CC=C(OC3=CC=CC=C3)C=C2)O1
inchi:
InChI=1S/C18H20O4/c1-2-18-20-13-17(22-18)12-19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,17-18H,2,12-13H2,1H3


name: Di-(1,2,2,6,6-pentamethyl-4-piperidyl)-2-butyl-2-(3,5-di-tert-butyl-4-hydroxybenzyl)malonate
cas: 63843-89-0
chemspiderid: 84273
dtxsid: DTXSID1070014
formula: C42H72N2O5
inchikey: FLPKSBDJMLUTEX-UHFFFAOYSA-N
norman_susdat_id: NS00010063
pubchem_cid: 93348
smiles: CCCCC(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
inchi:
InChI=1S/C42H72N2O5/c1-18-19-20-42(34(46)48-29-24-38(8,9)43(16)39(10,11)25-29,35(47)49-30-26-40(12,13)44(17)41(14,15)27-30)23-28-21-31(36(2,3)4)33(45)32(22-28)37(5,6)7/h21-22,29-30,45H,18-20,23-27H2,1-17H3


name: Sodium 2-[(2,6-dichloro-3-methylphenyl)amino]benzoate
cas: 6385-02-0
chebiid: CHEBI:6711
formula: C14H11Cl2NO2.Na
inchikey: OGPIIGMUPMPMNT-UHFFFAOYSA-M
norman_susdat_id: NS00081023
smiles: [Na+].Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl
inchi:
InChI=1/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);/q;+1/p-1


name: ST50324648
cas: 6385-15-5
chemspiderid: 858937
dtxsid: DTXSID70904001
formula: C22H17N3O2S
inchikey: XONJEPYGVLCWEQ-UHFFFAOYSA-N
norman_susdat_id: NS00112266
pubchem_cid: 991701
smiles: OC1=CC=CC(NC2=NC(=CS2)C2=CC=C(NC(=O)C3=CC=CC=C3)C=C2)=C1
inchi:
InChI=1S/C22H17N3O2S/c26-19-8-4-7-18(13-19)24-22-25-20(14-28-22)15-9-11-17(12-10-15)23-21(27)16-5-2-1-3-6-16/h1-14,26H,(H,23,27)(H,24,25)


name: Phenol, 4,4'-dithiobis[2,6-bis(1,1-dimethylethyl)-
cas: 6386-58-9
dtxsid: DTXSID60364473
formula: C28H42O2S2
inchikey: NEUPRVAMTYHIQV-UHFFFAOYSA-N
norman_susdat_id: NS00066880
smiles: CC(C)(C)C1=CC(SSC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C
inchi:
InChI=1S/C28H42O2S2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)31-32-18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16,29-30H,1-12H3


cas: 63863-44-5
dtxsid: DTXSID70880533
norman_susdat_id: NS00111285
name:
Propanoic acid, 3-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro-, methyl ester, polymer with tetrafluoroethene


name: 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid
cas: 6387-17-3
chemspiderid: 72958
dtxsid: DTXSID90213384
formula: C11H11Cl1N2O4S1
inchikey: QENFKLWBWWDGLL-UHFFFAOYSA-N
norman_susdat_id: NS00035600
pubchem_cid: 80804
smiles: CC1=NN(C(=O)C1)c1c(Cl)cc(cc1C)S(=O)(=O)O
inchi:
InChI=1S/C11H11ClN2O4S/c1-6-3-8(19(16,17)18)5-9(12)11(6)14-10(15)4-7(2)13-14/h3,5H,4H2,1-2H3,(H,16,17,18)


name: 3-ethyl-2-[2-(phenylamino)vinyl]benzoxazolium iodide
cas: 63870-30-4
dtxsid: DTXSID70886651
formula: C17H17N2O
inchikey: ZXDQLNZKCFSRSS-UHFFFAOYSA-N
norman_susdat_id: NS00052997
pubchem_cid: NA
smiles: [I-].O1C=2C=CC=CC2[N+](=C1C=CNC=3C=CC=CC3)CC
inchi:
InChI=1/C17H16N2O.HI/c1-2-19-15-10-6-7-11-16(15)20-17(19)12-13-18-14-8-4-3-5-9-14;/h3-13H,2H2,1H3;1H


name: 3-ethyl-2-[3-(3-ethylthiazolidin-2-ylidene)prop-1-enyl]-5,6-dimethylbenzoxazolium iodide
cas: 63870-31-5
dtxsid: DTXSID30886652
formula: C19H25N2OS
inchikey: BKEUQOLCUUFPFJ-UHFFFAOYSA-M
norman_susdat_id: NS00052998
pubchem_cid: NA
smiles: [I-].O1C=2C=C(C(=CC2[N+](=C1C=CC=C3SCCN3CC)CC)C)C
inchi:
InChI=1/C19H25N2OS.HI/c1-5-20-10-11-23-19(20)9-7-8-18-21(6-2)16-12-14(3)15(4)13-17(16)22-18;/h7-9,12-13H,5-6,10-11H2,1-4H3;1H/q+1;/p-1


name: 2-[[3-(carboxylatomethyl)-5-chloro-3H-benzothiazol-2-ylidene]methyl]-1-ethyl-6-methoxyquinolinium
cas: 63870-32-6
dtxsid: DTXSID6070017
formula: C22H20ClN2O3S
inchikey: JFOUTMXECBMMSD-UHFFFAOYSA-N
norman_susdat_id: NS00052999
pubchem_cid: NA
smiles: O=C([O-])CN1C(SC2=CC=C(Cl)C=C21)=CC=3C=CC4=CC(OC)=CC=C4[N+]3CC
inchi:
InChI=1/C22H19ClN2O3S/c1-3-24-16(6-4-14-10-17(28-2)7-8-18(14)24)12-21-25(13-22(26)27)19-11-15(23)5-9-20(19)29-21/h4-12H,3,13H2,1-2H3


name: 9H-Carbazol-3-amine, N,N'-(2,3,5,6-tetrachloro-2,5-cyclohexadiene-1,4-diylidene)bis[9-ethyl-
cas: 63870-33-7
chemspiderid: 21162084
dtxsid: DTXSID1070018
formula: C34H24Cl4N4
inchikey: JLANNKKWKSPTRQ-UHFFFAOYSA-N
norman_susdat_id: NS00035595
pubchem_cid: 173983
smiles: CCn1c2ccccc2c2c1ccc(c2)N=C1C(=C(Cl)C(=Nc2ccc3n(CC)c4c(cccc4)c3c2)C(=C1Cl)Cl)Cl
inchi:
InChI=1S/C34H24Cl4N4/c1-3-41-25-11-7-5-9-21(25)23-17-19(13-15-27(23)41)39-33-29(35)31(37)34(32(38)30(33)36)40-20-14-16-28-24(18-20)22-10-6-8-12-26(22)42(28)4-2/h5-18H,3-4H2,1-2H3/b39-33-,40-34+


cas: 63870-35-9
dtxsid: DTXSID80890921
formula: C13H10N4O4S2
inchikey: YRBUWXHHQYZPHT-UHFFFAOYSA-N
norman_susdat_id: NS00053453
pubchem_cid: NA
smiles: [Na+].O=C1NC(=S)NC(=O)C1=CC=CC=CC2C(=O)NC(=S)NC2=O
name:
5-[5-(hexahydro-4,6-dioxo-2-thioxo-5-pyrimidinyl)penta-2,4-dienylidene]dihydro-2-thioxopyrimidine-4,6(1H,5H)-dione, monosodium salt

inchi:
InChI=1/C13H10N4O4S2.Na/c18-8-6(9(19)15-12(22)14-8)4-2-1-3-5-7-10(20)16-13(23)17-11(7)21;/h1-6H,(H2,14,15,18,19,22)(H2,16,17,20,21,23);/q;+1


name: N-[7-[[4-(decyloxy)phenyl]azo]-3,6-bis[(ethylamino)sulphonyl]-8-hydroxy-1-naphthyl]acetamide
cas: 63870-36-0
dtxsid: DTXSID6070019
formula: C32H45N5O7S2
inchikey: NHGVHUVNLBETNN-UHFFFAOYSA-N
norman_susdat_id: NS00053518
pubchem_cid: 173987
smiles: O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC=C(OCCCCCCCCCC)C=C3)C(O)=C21)S(=O)(=O)NCC)S(=O)(=O)NCC)C
inchi:
InChI=1/C32H45N5O7S2/c1-5-8-9-10-11-12-13-14-19-44-26-17-15-25(16-18-26)36-37-31-29(46(42,43)34-7-3)21-24-20-27(45(40,41)33-6-2)22-28(35-23(4)38)30(24)32(31)39/h15-18,20-22,33-34,39H,5-14,19H2,1-4H3,(H,35,38)


name: 3-ethyl-2-[2-(methylthio)but-1-enyl]benzothiazolium iodide
cas: 63870-43-9
dtxsid: DTXSID10886655
formula: C14H18NS2
inchikey: VRUKJBQALZCTDX-UHFFFAOYSA-M
norman_susdat_id: NS00053454
pubchem_cid: 173991
smiles: [I-].S1C=2C=CC=CC2[N+](=C1C=C(SC)CC)CC
inchi:
InChI=1/C14H18NS2.HI/c1-4-11(16-3)10-14-15(5-2)12-8-6-7-9-13(12)17-14;/h6-10H,4-5H2,1-3H3;1H/q+1;/p-1


cas: 63870-45-1
dtxsid: DTXSID70886656
formula: C25H29N2OS
inchikey: OZPMNWSLSANVJN-UHFFFAOYSA-M
norman_susdat_id: NS00054314
pubchem_cid: NA
smiles: [I-].O1C=2C=C(C(=CC2[N+](=C1C=C(C=C3SC=4C=CC=CC4N3CC)CC)CC)C)C
name:
3-ethyl-2-[2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethylbenzoxazolium iodide

inchi:
InChI=1/C25H29N2OS.HI/c1-6-19(16-25-27(8-3)20-11-9-10-12-23(20)29-25)15-24-26(7-2)21-13-17(4)18(5)14-22(21)28-24;/h9-16H,6-8H2,1-5H3;1H/q+1;/p-1


cas: 63870-47-3
dtxsid: DTXSID30886657
formula: C10H15N2OS3
inchikey: NVXIKCSOINRPAD-UHFFFAOYSA-M
norman_susdat_id: NS00053519
pubchem_cid: 73555999
smiles: O=C1C(SC(SC)=[N+]1CC)=C2SCCN2C.O=S(=O)([O-])C1=CC=C(C=C1)C
name:
3-ethyl-4,5-dihydro-5-(3-methylthiazolidin-2-ylidene)-2-(methylthio)-4-oxothiazolium toluene-p-sulphonate

inchi:
InChI=1/C10H15N2OS3.C7H8O3S/c1-4-12-8(13)7(16-10(12)14-3)9-11(2)5-6-15-9;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 1-ethyl-2-[(3-ethyl-3H-benzoselenazol-2-ylidene)methyl]-6-methylquinolinium iodide
cas: 63870-48-4
formula: C22H23N2Se.I
inchikey: RKVHOXAJXCFFTN-UHFFFAOYSA-M
norman_susdat_id: NS00086523
smiles: [I-].CC[n+]3c4ccc(C)cc4ccc3C=C2[Se]c1ccccc1N2CC
inchi:
InChI=1/C22H23N2Se.HI/c1-4-23-18(12-11-17-14-16(3)10-13-19(17)23)15-22-24(5-2)20-8-6-7-9-21(20)25-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1


cas: 63870-55-3
dtxsid: DTXSID20886661
formula: C28H27N2O3S2
inchikey: CCNCXJODMKBCDS-UHFFFAOYSA-N
norman_susdat_id: NS00053520
pubchem_cid: NA
smiles: [I-].O=C(O)CCN1C(SC2=CC(OC)=CC=C21)=CC(=CC=3SC4=CC=C5C=CC=CC5=C4[N+]3C)CC
name:
2-[2-[[3-(2-carboxyethyl)-6-methoxy-3H-benzothiazol-2-ylidene]methyl]-1-butenyl]-1-methylnaphtho[1,2-d]thiazolium iodide

inchi:
InChI=1/C28H26N2O3S2.HI/c1-4-18(15-25-29(2)28-21-8-6-5-7-19(21)9-12-23(28)34-25)16-26-30(14-13-27(31)32)22-11-10-20(33-3)17-24(22)35-26;/h5-12,15-17H,4,13-14H2,1-3H3;1H


name: Ethyl 4-[benzyl(2-ethoxy-2-oxoethyl)amino]butyrate
cas: 63876-32-4
dtxsid: DTXSID50980661
formula: C17H25NO4
inchikey: MLUXZXWFKYDTTJ-UHFFFAOYSA-N
norman_susdat_id: NS00054315
pubchem_cid: 3017464
smiles: O=C(OCC)CN(CC=1C=CC=CC1)CCCC(=O)OCC
inchi:
InChI=1/C17H25NO4/c1-3-21-16(19)11-8-12-18(14-17(20)22-4-2)13-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3


name: C.I. Direct Green 26, pentasodium salt
cas: 6388-26-7
chemspiderid: 17286477
dtxsid: DTXSID8064305
formula: C50H38N12O18S4
inchikey: HTPJPKXFBLUBPI-UHFFFAOYSA-I
norman_susdat_id: NS00019440
pubchem_cid: 101690369
inchi:
InChI=1S/C50H38N12O18S4/c1-24-14-36(41(80-2)23-35(24)59-61-38-21-32(82(71,72)73)15-25-16-33(83(74,75)76)22-40(64)43(25)38)60-62-45-42(84(77,78)79)18-26-17-31(81(68,69)70)20-37(44(26)46(45)65)53-50-55-48(51-27-6-4-3-5-7-27)54-49(56-50)52-28-8-10-29(11-9-28)57-58-30-12-13-39(63)34(19-30)47(66)67/h3-23,63-65H,1-2H3,(H,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H3,51,52,53,54,55,56)/b58-57+,61-59-,62-60+

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].COc1cc(N=Nc2c3c(O)cc(cc3cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-])c(C)cc1N=Nc1c(O)c2c(cc(cc2Nc2nc(Nc3ccccc3)nc(Nc3ccc(cc3)N=Nc3cc(C(=O)[O-])c(O)cc3)n2)S(=O)(=O)[O-])cc1S(=O)(=O)[O-]


name: N-{[1-(Dimethylamino)cyclohexyl]methyl}benzamide
cas: 63886-94-2
formula: C16H24N2O
inchikey: GMBMAHMMQCNOGV-UHFFFAOYSA-N
norman_susdat_id: NS00096684
smiles: CN(C)C1(CCCCC1)CNC(=O)C2=CC=CC=C2
inchi:
InChI=1S/C16H24N2O/c1-18(2)16(11-7-4-8-12-16)13-17-15(19)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H,17,19)


name: Tetradodecylammonium nitrate
cas: 63893-35-6
formula: C48H100N.NO3
inchikey: AHQMUYHFUYRUJV-UHFFFAOYSA-N
norman_susdat_id: NS00087220
smiles: CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[O-][N+](=O)[O-]
inchi:
InChI=1/C48H100N.NO3/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;2-1(3)4/h5-48H2,1-4H3;/q+1;-1


name: Ethyl-6-isopropyl-3-methyl-9-oxo-2E,4E-decadienoate
cas: 63896-58-2
chemspiderid: 4515939
formula: C16H26O3
inchikey: FXASKNZZPYEXCN-PTSVWTKZSA-N
norman_susdat_id: NS00114028
pubchem_cid: 5363613
smiles: CC(CCC(C(C)C)/C=C/C(C)=C/C(OCC)=O)=O
inchi:
InChI=1S/C16H26O3/c1-6-19-16(18)11-13(4)7-9-15(12(2)3)10-8-14(5)17/h7,9,11-12,15H,6,8,10H2,1-5H3/b9-7+,13-11+


name: 3-[4,5-dihydro-3-methyl-4-[(4-methyl-2-nitrophenyl)azo]-5-oxo-1H-pyrazol-1-yl]benzenesulphonamide
cas: 63899-00-3
formula: C17H17N6O5S
inchikey: QECWZSQQCHEKBD-UHFFFAOYSA-N
norman_susdat_id: NS00053456
pubchem_cid: 3017467
smiles: O=C1N(N=C(C)C1N=NC2=CC=C(C=C2[N+](=O)[O-])C)C3=CC=CC(=C3)S(=O)(=O)N
inchi:
InChI=1/C17H16N6O5S/c1-10-6-7-14(15(8-10)23(25)26)19-20-16-11(2)21-22(17(16)24)12-4-3-5-13(9-12)29(18,27)28/h3-9,16H,1-2H3,(H2,18,27,28)


name: (3ß,4a)-3-hydroxy-23-oxoolean-12-en-28-oic acid
cas: 639-14-5
chebiid: CHEBI:5580
formula: C30H46O4
inchikey: QMHCWDVPABYZMC-MYPRUECHSA-N
norman_susdat_id: NS00042073
pubchem_cid: 92825
smiles: O=CC1(C)C(O)CCC2(C)C1CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC43C
inchi:
InChI=1/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,18,20-23,32H,8-17H2,1-6H3,(H,33,34)


name: 4,5,6,7-tetrachloro-3,3-bis(4-hydroxyphenyl)phthalide
cas: 639-44-1
dtxsid: DTXSID90897365
formula: C20H10Cl4O4
inchikey: NPARLLRHBQQQDY-UHFFFAOYSA-N
norman_susdat_id: NS00041695
pubchem_cid: 69495
smiles: O=C1OC(C2=CC=C(O)C=C2)(C3=CC=C(O)C=C3)C=4C(Cl)=C(Cl)C(Cl)=C(Cl)C14
inchi:
InChI=1/C20H10Cl4O4/c21-15-13-14(16(22)18(24)17(15)23)20(28-19(13)27,9-1-5-11(25)6-2-9)10-3-7-12(26)8-4-10/h1-8,25-26H


name: Morphine N-oxide
cas: 639-46-3
chebiid: CHEBI:7002
formula: C17H20NO4
inchikey: AMAPEXTUMXQULJ-APQDOHRLSA-N
norman_susdat_id: NS00042110
pubchem_cid: 5362459
smiles: [O-][N+]1(C)CCC23C4=C5OC3C(O)C=CC2C1CC4=CC=C5O
inchi:
InChI=1/C17H19NO4/c1-18(21)7-6-17-10-3-5-13(20)16(17)22-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3


name: (5a,6a)-7,8-didehydro-4,5-epoxy-6-methoxy-17-methylmorphinan-3-ol
cas: 639-47-4
chebiid: CHEBI:5685
dtxsid: DTXSID40905126
formula: C18H21NO3
inchikey: FNAHUZTWOVOCTL-XSSYPUMDSA-N
norman_susdat_id: NS00042074
pubchem_cid: 5462505
smiles: OC1=CC=C2C3=C1OC4C(OC)C=CC5C(N(C)CCC345)C2
inchi:
InChI=1/C18H21NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,20H,7-9H2,1-2H3


name: Nicomorphine [INN:BAN:DCF]
cas: 639-48-5
chebiid: CHEBI:135797
chemspiderid: 4515048
dtxsid: DTXSID00213517
formula: C29H25N3O5
inchikey: HNDXBGYRMHRUFN-CIVUWBIHSA-N
norman_susdat_id: NS00007674
pubchem_cid: 5362460
smiles: CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC(=O)c1cccnc1)ccc5OC(=O)c1cccnc1
inchi:
InChI=1S/C29H25N3O5/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3/t20-,21+,23-,26-,29-/m0/s1


name: Solanocapsine
cas: 639-86-1
chebiid: CHEBI:9189
chemspiderid: 73419
formula: C27H46N2O2
inchikey: ZPTJKUUQUDRHTL-QAQRTNARSA-N
norman_susdat_id: NS00094329
pubchem_cid: 66133
smiles:
C[C@@H]1C[C@]2([C@@H]([C@H]([C@H]3[C@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)N)C)C)C)NC1)O


name: 2-[(1R,3S,4S)-4-Ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-ol
cas: 639-99-6
chemspiderid: 476921
dtxsid: DTXSID1052323
formula: C15H26O1
inchikey: GFJIQNADMLPFOW-UHFFFAOYSA-N
norman_susdat_id: NS00012345
pubchem_cid: 547972
smiles: CC(=C)[C@@H]1C[C@@H](CC[C@@]1(C)C=C)C(C)(C)O
inchi:
InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1


name: [1,1'-Biphenyl]-2,2'-diol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)-
cas: 6390-69-8
chemspiderid: 72962
dtxsid: DTXSID10884292
formula: C28H42O2
inchikey: GDGDLBOVIAWEAD-UHFFFAOYSA-N
norman_susdat_id: NS00004497
pubchem_cid: 80808
smiles: CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)-c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C28H42O2/c1-25(2,3)17-13-19(23(29)21(15-17)27(7,8)9)20-14-18(26(4,5)6)16-22(24(20)30)28(10,11)12/h13-16,29-30H,1-12H3


cas: 63903-61-7
formula: C18H25NO
inchikey: YQYVFVRQLZMJKJ-VIYFESSGSA-N
norman_susdat_id: NS00086228
smiles: CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC4CC4
name:
(2a,6a,11R*)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol

inchi:
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3


name: Bis(cyclohex-3-en-1-ylmethyl) hexanedioate
cas: 63905-29-3
chemspiderid: 41002
dtxsid: DTXSID6052322
formula: C20H30O4
inchikey: PJRVYFKLOAROIV-UHFFFAOYNA-N
norman_susdat_id: NS00035603
pubchem_cid: NA
smiles: O=C(CCCCC(=O)OCC1CCC=CC1)OCC1CCC=CC1
inchi:
InChI=1S/C20H30O4/c21-19(23-15-17-9-3-1-4-10-17)13-7-8-14-20(22)24-16-18-11-5-2-6-12-18/h1-3,5,17-18H,4,6-16H2/t17-,18+


name: Novophyllin
cas: 63907-40-4
dtxsid: DTXSID90213602
formula: C21H28N8O5
inchikey: UNEKNYJDIWURAQ-UHFFFAOYSA-N
norman_susdat_id: NS00076448
smiles: NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1
inchi:
InChI=1S/C12H12N2O3.C7H8N4O2.C2H8N2/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h3-7H,2H2,1H3,(H2,13,14,15,16,17);3H,1-2H3,(H,8,9);1-4H2


cas: 63907-45-9
formula: C26H29ClN2O4S2Se
inchikey: KMOKYVDJZCIOCI-UHFFFAOYSA-N
norman_susdat_id: NS00086238
smiles: CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2[Se]c1ccc(cc1N2CCCCS([O-])(=O)=O)OC
name:
5-chloro-3-ethyl-2-[2-[[5-methoxy-3-(4-sulphonatobutyl)benzoselenazol-2(3H)-ylidene]methyl]but-1-enyl]benzothiazolium

inchi:
InChI=1/C26H29ClN2O4S2Se/c1-4-18(14-25-28(5-2)21-16-19(27)8-10-23(21)34-25)15-26-29(12-6-7-13-35(30,31)32)22-17-20(33-3)9-11-24(22)36-26/h8-11,14-17H,4-7,12-13H2,1-3H3


name: N,N'-dibenzyl-N,N,N',N'-tetramethyl-N,N'-(2-hydroxypropane-1,3-diyl)diammonium dichloride
cas: 63908-00-9
dtxsid: DTXSID70980966
formula: C21H32N2O
inchikey: FGBUQVJBASHTCO-UHFFFAOYSA-L
norman_susdat_id: NS00053021
pubchem_cid: 56841893
smiles: [Cl-].[Cl-].OC(C[N+](C)(C)CC=1C=CC=CC1)C[N+](C)(C)CC=2C=CC=CC2
inchi:
InChI=1/C21H32N2O.2ClH/c1-22(2,15-19-11-7-5-8-12-19)17-21(24)18-23(3,4)16-20-13-9-6-10-14-20;;/h5-14,21,24H,15-18H2,1-4H3;2*1H/q+2;;/p-2


name: Tetrasodium 5,5'-[thiobis[(3-sulphonato-p-phenylene)azo]]disalicylate
cas: 6391-20-4
formula: C26H18N4O12S3
inchikey: SRAQQSCMMDMFKH-UHFFFAOYSA-J
norman_susdat_id: NS00043961
pubchem_cid: 135571010
inchi:
InChI=1/C26H18N4O12S3.4Na/c31-21-7-1-13(9-17(21)25(33)34)27-29-19-5-3-15(11-23(19)44(37,38)39)43-16-4-6-20(24(12-16)45(40,41)42)30-28-14-2-8-22(32)18(10-14)26(35)36;;;;/h1-12,31-32H,(H,33,34)(H,35,36)(H,37,38,39)(H,40,41,42);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(SC3=CC=C(N=NC4=CC=C(O)C(=C4)C(=O)[O-])C(=C3)S(=O)(=O)[O-])C=C2S(=O)(=O)[O-])=CC=C1O


cas: 6391-21-5
formula: C33H25N11O7.2Na
inchikey: IXTYODUPZPZKHN-UHFFFAOYSA-L
norman_susdat_id: NS00080683
name:
Disodium 1-(3-aminophenyl)-4-[[3-[[3-[[1-(3-aminophenyl)-3-carboxylato-4,5-dihydro-5-oxo-1H-pyrazol-4-yl]azo]benzoyl]amino]phenyl]azo]-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C33H25N11O7.2Na/c34-18-6-2-11-23(14-18)43-30(46)25(27(41-43)32(48)49)39-37-21-9-1-5-17(13-21)29(45)36-20-8-4-10-22(16-20)38-40-26-28(33(50)51)42-44(31(26)47)24-12-3-7-19(35)15-24;;/h1-16,25-26H,34-35H2,(H,36,45)(H,48,49)(H,50,51);;/q;2*+1/p-2

smiles:
Nc1cccc(c1)N2N=C(C(N=Nc3cccc(NC(=O)c4cccc(c4)N=NC5C(=O)N(N=C5C(=O)O[Na])c6cccc(N)c6)c3)C2=O)C(=O)O[Na]


name: 1-ethyl-2-[[3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]quinolinium
cas: 63912-44-7
dtxsid: DTXSID80213611
formula: C23H25N2O3S2
inchikey: DCTMOORIUHYEPD-UHFFFAOYSA-N
norman_susdat_id: NS00053457
pubchem_cid: NA
smiles: O=S(=O)([O-])CCCCN1C(SC=2C=CC=CC21)=CC=3C=CC=4C=CC=CC4[N+]3CC
inchi:
InChI=1/C23H24N2O3S2/c1-2-24-19(14-13-18-9-3-4-10-20(18)24)17-23-25(15-7-8-16-30(26,27)28)21-11-5-6-12-22(21)29-23/h3-6,9-14,17H,2,7-8,15-16H2,1H3


name: Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate
cas: 63918-38-7
dtxsid: DTXSID20213695
formula: C12H16N4O10S
inchikey: GUVVOTFAZHZDHR-UHFFFAOYSA-M
norman_susdat_id: NS00076217
smiles: CC[N+]1(CCO)CC1.[O-][N+](=O)C1=CC(=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O)[N+]([O-])=O
inchi:
InChI=1S/C6H3N3O9S.C6H14NO/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;1-2-7(3-4-7)5-6-8/h1-2H,(H,16,17,18);8H,2-6H2,1H3/q;+1/p-1


name: Allyxycarb
cas: 6392-46-7
chebiid: CHEBI:82087
chemspiderid: 21446
dtxsid: DTXSID7041592
formula: C16H22N2O2
inchikey: FBEHFRAORPEGFH-UHFFFAOYSA-N
norman_susdat_id: NS00035604
pubchem_cid: 22890
smiles: CNC(=O)Oc1cc(C)c(N(CC=C)CC=C)c(C)c1
inchi:
InChI=1S/C16H22N2O2/c1-6-8-18(9-7-2)15-12(3)10-14(11-13(15)4)20-16(19)17-5/h6-7,10-11H,1-2,8-9H2,3-5H3,(H,17,19)


name: Cycloprothrin
cas: 63935-38-6
chemspiderid: 82789
dtxsid: DTXSID0058148
formula: C26H21Cl2N1O4
inchikey: CGTWCAVZZBLHQH-UHFFFAOYNA-N
norman_susdat_id: NS00022611
pubchem_cid: NA
smiles: CCOc1ccc(cc1)C1(CC1(Cl)Cl)C(=O)OC(C#N)c1cc(Oc2ccccc2)ccc1
inchi:
InChI=1S/C26H21Cl2NO4/c1-2-31-20-13-11-19(12-14-20)25(17-26(25,27)28)24(30)33-23(16-29)18-7-6-10-22(15-18)32-21-8-4-3-5-9-21/h3-15,23H,2,17H2,1H3/t23-,25+/m0/s1


name: Nonabromodiphenyl ether
cas: 63936-56-1
dtxsid: DTXSID3024233
norman_susdat_id: NS00077008
smiles:
[*]C1=C([*])C([*])=C(OC2=C([*])C([*])=C([*])C([*])=C2[*])C([*])=C1[*] |$_R1;;;_R1;;_R1;;;;;_R1;;_R1;;_R1;;_R1;;_R1;;_R1;;_R1$,c:1,8,16,21,t:5,12,lp:7:2,RG:_R1={Br* |$;_AP1$,lp:0:2|},LOG={_R1:;H;9}|


cas: 63941-39-9
chemspiderid: 151836
dtxsid: DTXSID0070025
formula: C57H86N2O8
inchikey: ZVKKVSDZZGHJID-UHFFFAOYSA-N
norman_susdat_id: NS00035606
pubchem_cid: 174007
name:
Propanedioic acid, bis[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, bis[2,2,6,6-tetramethyl-1-(1-oxo-2-propenyl)-4-piperidinyl] ester

inchi:
InChI=1S/C57H86N2O8/c1-23-43(60)58-53(15,16)31-37(32-54(58,17)18)66-47(64)57(29-35-25-39(49(3,4)5)45(62)40(26-35)50(6,7)8,30-36-27-41(51(9,10)11)46(63)42(28-36)52(12,13)14)48(65)67-38-33-55(19,20)59(44(61)24-2)56(21,22)34-38/h23-28,37-38,62-63H,1-2,29-34H2,3-22H3

smiles:
CC(C)(C)c1cc(CC(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)(C(=O)OC2CC(C)(C)N(C(=O)C=C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C(=O)C=C)C(C)(C)C2)cc(c1O)C(C)(C)C


name: Bradanicline
cas: 639489-84-2
dtxsid: DTXSID40213778
formula: C22H23N3O2
inchikey: OXKRFEWMSWPKKV-GHTZIAJQSA-N
norman_susdat_id: NS00072871
smiles: O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1
inchi:
InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1


name: Germerine
cas: 63951-45-1
chemspiderid: 45690
formula: C37H59NO11
inchikey: SGYGAUUUPXBOSA-PTSVTHRZSA-N
norman_susdat_id: NS00094309
pubchem_cid: 41577
smiles:
CCC(C)C(=O)O[C@H]1CC[C@]2(C3[C@@]1(O[C@@]24CC5C6CN7C[C@H](CC[C@H]7[C@@](C6[C@H](C([C@]5(C4[C@@H](C3)O)O)OC(=O)C(C)(CC)O)O)(C)O)C)O)C


name: (2z)-2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic acid
cas: 639517-90-1
formula: C22H16BrNO4
inchikey: WLPJLQNKCJWAFL-RGEXLXHISA-N
norman_susdat_id: NS00070498
pubchem_cid: 657131
smiles: O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccccc1
inchi:
InChI=1S/C22H16BrNO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14-


cas: 63957-60-8
chemspiderid: 7847295
dtxsid: DTXSID5070026
formula: C34H26N6O20S6
inchikey: TWBAPOAFCXPIPX-UHFFFAOYSA-N
norman_susdat_id: NS00035607
pubchem_cid: NA
name:
1,3-Naphthalenedisulfonic acid, 6,6'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)azo]]bis[4-amino-5-hydroxy-

inchi:
InChI=1S/C34H26N6O20S6/c35-31-27(65(55,56)57)13-25(63(49,50)51)19-7-9-21(33(41)29(19)31)39-37-17-5-3-15(23(11-17)61(43,44)45)1-2-16-4-6-18(12-24(16)62(46,47)48)38-40-22-10-8-20-26(64(52,53)54)14-28(66(58,59)60)32(36)30(20)34(22)42/h1-14,37-38H,35-36H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/b2-1+,39-21+,40-22+

smiles:
Nc1c(cc(c2c1C(=O)/C(=N/Nc1cc(c(/C=C/c3c(cc(N/N=C/4C=Cc5c(c(N)c(cc5S(=O)(=O)O)S(=O)(=O)O)C4=O)cc3)S(=O)(=O)O)cc1)S(=O)(=O)O)/C=C2)S(=O)(=O)O)S(=O)(=O)O


name: 2,2'-[[(2-chlorophenyl)methylene]bis[(2,5-dimethyl-4,1-phenylene)azo]]bis[p-cresol]
cas: 63957-61-9
dtxsid: DTXSID0070027
formula: C37H35ClN4O2
inchikey: KAXXSZSUIBJXTQ-UHFFFAOYSA-N
norman_susdat_id: NS00054339
pubchem_cid: 115429
smiles: ClC=1C=CC=CC1C(C2=CC(=C(N=NC3=CC(=CC=C3O)C)C=C2C)C)C4=CC(=C(N=NC5=CC(=CC=C5O)C)C=C4C)C
inchi:
InChI=1/C37H35ClN4O2/c1-21-11-13-35(43)33(15-21)41-39-31-19-23(3)28(17-25(31)5)37(27-9-7-8-10-30(27)38)29-18-26(6)32(20-24(29)4)40-42-34-16-22(2)12-14-36(34)44/h7-20,37,43-44H,1-6H3


name: Shikimate 3-phosphate
cas: 63959-45-5
chebiid: CHEBI:17052
dtxsid: DTXSID10981376
formula: C7H11O8P
inchikey: QYOJSKGCWNAKGW-PBXRRBTRSA-N
norman_susdat_id: NS00069425
pubchem_cid: 121947
smiles: O=C(O)C1=C[C@@H](OP(=O)(O)O)[C@@H](O)[C@H](O)C1
inchi:
InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1


name: 2-(3-hydroxy-2(1H)-quinolylidene)-1,3-dioxoindan-5-carboxylic acid
cas: 6396-90-3
formula: C19H11NO5
inchikey: KJLDFXSDPYFIHO-UHFFFAOYSA-N
norman_susdat_id: NS00080684
smiles: OC(=O)c3ccc4C(=O)C(=C1Nc2ccccc2\C=C1\O)C(=O)c4c3
inchi:
InChI=1/C19H11NO5/c21-14-8-9-3-1-2-4-13(9)20-16(14)15-17(22)11-6-5-10(19(24)25)7-12(11)18(15)23/h1-8,20-21H,(H,24,25)


name: 2-chloro-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-N-methylacetamide
cas: 63960-71-4
formula: C15H15ClFN3O2
inchikey: FJFWRDDAYRSVMB-UHFFFAOYSA-N
norman_susdat_id: NS00053045
pubchem_cid: 3017472
smiles: O=C(C=1C=CC=CC1F)C=2C(=NN(C2N(C(=O)CCl)C)C)C
inchi:
InChI=1/C15H15ClFN3O2/c1-9-13(14(22)10-6-4-5-7-11(10)17)15(20(3)18-9)19(2)12(21)8-16/h4-7H,8H2,1-3H3


name: Perfluoroundecanal
cas: 63967-42-0
chemspiderid: 32677610
formula: C11H1F21O1
inchikey: SIGVLQANXAPTLB-UHFFFAOYSA-N
norman_susdat_id: NS00011203
pubchem_cid: 71439182
smiles: O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(C(F)(F)C(F)(F)C(F)(C(F)(F)F)F)F)F
inchi:
InChI=1S/C11HF21O/c12-2(13,1-33)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h1H


name: 3-(Heptadecafluorooctyl)-1,2,4-trioxolane
cas: 63967-43-1
dtxsid: DTXSID50540683
formula: C10H3F17O3
inchikey: JZLSJSIYEYSKCH-UHFFFAOYSA-N
norman_susdat_id: NS00110559
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)C1OCOO1
inchi:
InChI=1S/C10H3F17O3/c11-3(12,2-28-1-29-30-2)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2


name: Artemisinin
cas: 63968-64-9
chebiid: CHEBI:223316
chemspiderid: 62060
dtxsid: DTXSID2040652
formula: C15H22O5
inchikey: BLUAFEHZUWYNDE-NNWCWBAJSA-N
norman_susdat_id: NS00010623
pubchem_cid: 68827
smiles: C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
inchi:
InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1


cas: 6397-02-0
chemspiderid: 21456
dtxsid: DTXSID8064307
formula: C23H20N2O5S1
inchikey: RRETZLLHOMHNNB-UHFFFAOYSA-M
norman_susdat_id: NS00020442
pubchem_cid: 23675739
smiles: [Na+].Cc1cc(C)c(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(N)c(c2)S(=O)(=O)[O-])c(C)c1
name:
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[(2,4,6-trimethylphenyl)amino]-, monosodium salt

inchi:
InChI=1S/C23H20N2O5S/c1-11-8-12(2)21(13(3)9-11)25-16-10-17(31(28,29)30)20(24)19-18(16)22(26)14-6-4-5-7-15(14)23(19)27/h4-10,25H,24H2,1-3H3,(H,28,29,30)


name: Ethyl (3ß-acetoxy-17-azido-16a-hydroxypregn-5-en-20-ylidene)carbazate
cas: 63973-99-9
formula: C26H40N5O5
inchikey: MCZQQHKOLGEDPS-AFQNBYTLSA-N
norman_susdat_id: NS00054341
pubchem_cid: NA
smiles: [N-]=[N+]=NC1(C(=NNC(=O)OCC)C)C(O)CC2C3CC=C4CC(OC(=O)C)CCC4(C)C3CCC21C
inchi:
InChI=1/C26H39N5O5/c1-6-35-23(34)29-28-15(2)26(30-31-27)22(33)14-21-19-8-7-17-13-18(36-16(3)32)9-11-24(17,4)20(19)10-12-25(21,26)5/h7,18-22,33H,6,8-14H2,1-5H3,(H,29,34)


name: Nonyl diphenyl phosphite
cas: 63981-08-8
dtxsid: DTXSID20981600
formula: C21H29O3P
inchikey: NCPGGWYWLQAEMT-UHFFFAOYSA-N
norman_susdat_id: NS00053557
pubchem_cid: 19743308
smiles: O(C=1C=CC=CC1)P(OC=2C=CC=CC2)OCCCCCCCCC
inchi:
InChI=1/C21H29O3P/c1-2-3-4-5-6-7-14-19-22-25(23-20-15-10-8-11-16-20)24-21-17-12-9-13-18-21/h8-13,15-18H,2-7,14,19H2,1H3


name: Heptadecyltrimethylammonium methyl sulphate
cas: 63982-03-6
dtxsid: DTXSID0070029
formula: C20H44N
inchikey: RHMYLLZPXHTBMH-UHFFFAOYSA-M
norman_susdat_id: NS00053558
pubchem_cid: 46048
smiles: O=S(=O)([O-])OC.CCCCCCCCCCCCCCCCC[N+](C)(C)C
inchi:
InChI=1/C20H44N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4;1-5-6(2,3)4/h5-20H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: Trisodium 3,3',3''-phosphinetriyltris(benzene-1-sulphonate)
cas: 63995-70-0
dtxsid: DTXSID60213972
formula: C18H15O9PS3
inchikey: MYAJTCUQMQREFZ-UHFFFAOYSA-K
norman_susdat_id: NS00053505
pubchem_cid: 3675708
smiles: [Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)P(C2=CC=CC(=C2)S(=O)(=O)[O-])C3=CC=CC(=C3)S(=O)(=O)[O-]
inchi:
InChI=1/C18H15O9PS3.3Na/c19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;;;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3


name: Trisodium hydrogen N,N-bis(carboxylatomethyl)-L-glutamate
cas: 63998-93-6
chemspiderid: 21162094
dtxsid: DTXSID20213973
formula: C9H13N1O8
inchikey: DIGMEYCLSQUNNC-BHRFRFAJSA-K
norman_susdat_id: NS00019914
pubchem_cid: 56841940
smiles: [Na+].[Na+].[Na+].[O-]C(=O)CCC(N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-].[H+]
inchi:
InChI=1S/C9H13NO8/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t5-/m1/s1


name: Trimeperidine
cas: 64-39-1
formula: C17H25NO2
inchikey: UVITTYOJFDLOGI-KEYYUXOJSA-N
norman_susdat_id: NS00041028
pubchem_cid: 20055107
smiles: O=C(OC1(C=2C=CC=CC2)CC(N(C)CC1C)C)CC
inchi:
InChI=1/C17H25NO2/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-14(3)18(4)12-13(17)2/h6-10,13-14H,5,11-12H2,1-4H3


name: Amobarbital sodium [USP]
cas: 64-43-7
dtxsid: DTXSID40213975
formula: C11H17N2NaO3
inchikey: BNHGKKNINBGEQL-UHFFFAOYSA-M
norman_susdat_id: NS00076295
smiles: [Na+].CCC1(CCC(C)C)C(=O)NC([O-])=NC1=O
inchi:
InChI=1S/C11H18N2O3.Na/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1


name: Physostigmine sulphate
cas: 64-47-1
formula: C15H21N3O2.1/2H2O4S
inchikey: LLIODTIILSCNOH-PBCQUBLHSA-N
norman_susdat_id: NS00079074
smiles: CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1.OS(=O)(=O)O
inchi:
InChI=1/C15H21N3O2.H2O4S/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;1-5(2,3)4/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);(H2,1,2,3,4)


name: 1-(2-phenylethyl)-4-phenyl-4-acetoxypiperidine
cas: 64-52-8
dtxsid: DTXSID5048922
formula: C21H25NO2
inchikey: BVURVTVDNWSNFN-UHFFFAOYSA-N
norman_susdat_id: NS00068757
pubchem_cid: 60977
smiles: CC(=O)OC1(c2ccccc2)CCN(CCc2ccccc2)CC1
inchi:
InChI=1S/C21H25NO2/c1-18(23)24-21(20-10-6-3-7-11-20)13-16-22(17-14-21)15-12-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3


name: Demeclocycline hydrochloride
cas: 64-73-3
chebiid: CHEBI:59725
formula: C21H21ClN2O8.ClH
inchikey: GVSJQNRGSCOSNJ-KBHRXELFSA-N
norman_susdat_id: NS00100248
smiles: Cl.CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N
inchi:
InChI=1/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31);1H


name: Tetracycline hydrochloride
cas: 64-75-5
formula: C22H24N2O8.ClH
inchikey: XMEVHPAGJVLHIG-FMZCEJRJSA-N
norman_susdat_id: NS00078913
smiles: Cl.CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O
inchi:
InChI=1/C22H24N2O8.ClH/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);1H


name: Tolbutamide
cas: 64-77-7
chebiid: CHEBI:27999
chemspiderid: 5304
dtxsid: DTXSID8021359
formula: C12H18N2O3S1
inchikey: JLRGJRBPOGGCBT-UHFFFAOYSA-N
norman_susdat_id: NS00001371
pubchem_cid: 5505
smiles: CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
inchi:
InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)


name: 17-ß-hydroxy-5a-androst-1-en-3-one acetate
cas: 64-82-4
dtxsid: DTXSID60981907
formula: C21H30O3
inchikey: NKZLRJOJLCHNQR-NGFSFWIMSA-N
norman_susdat_id: NS00041140
pubchem_cid: 3034655
smiles: O=C(OC1CCC2C3CCC4CC(=O)C=CC4(C)C3CCC12C)C
inchi:
InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h8,10,14,16-19H,4-7,9,11-12H2,1-3H3


name: 21-Hydroxyprogesterone
cas: 64-85-7
chebiid: CHEBI:16973
chemspiderid: 5932
dtxsid: DTXSID0045254
formula: C21H30O3
inchikey: ZESRJSPZRDMNHY-YFWFAHHUSA-N
norman_susdat_id: NS00005226
pubchem_cid: 6166
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
inchi:
InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1


name: Colchicine
cas: 64-86-8
chebiid: CHEBI:27882
chemspiderid: 5933
dtxsid: DTXSID5024845
formula: C22H25N1O6
inchikey: IAKHMKGGTNLKSZ-INIZCTEOSA-N
norman_susdat_id: NS00002718
pubchem_cid: 6167
smiles: COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
inchi:
InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1


name: Adiphenine
cas: 64-95-9
chebiid: CHEBI:94680
chemspiderid: 1953
dtxsid: DTXSID0022561
formula: C20H25N1O2
inchikey: JGOAIQNSOGZNBX-UHFFFAOYSA-N
norman_susdat_id: NS00006612
pubchem_cid: 2031
smiles: CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3


name: 17-a,21-dihydroxypregn-4-ene-3,20-dione 21-acetate
cas: 640-87-9
dtxsid: DTXSID90981910
formula: C23H32O5
inchikey: HPAKILCZTKWIFK-JZTHCNPZSA-N
norman_susdat_id: NS00041748
pubchem_cid: 101816
smiles: O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C)C
inchi:
InChI=1/C23H32O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h12,17-19,27H,4-11,13H2,1-3H3


name: (2-hydroxypropyl)ammonium myristate
cas: 64012-06-2
formula: C14H28O2.C3H9NO
inchikey: HRTFUMOKDUHNIY-UHFFFAOYSA-N
norman_susdat_id: NS00086564
smiles: CCCCCCCCCCCCCC(=O)[O-].CC(O)C[NH3+]
inchi:
InChI=1/C14H28O2.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-3(5)2-4/h2-13H2,1H3,(H,15,16);3,5H,2,4H2,1H3


name: Disodium 3,3'-(phenylphosphinediyl)bis(benzene-1-sulphonate)
cas: 64018-22-0
dtxsid: DTXSID20214001
formula: C18H15O6PS2
inchikey: PWRPHTBBQPNXQA-UHFFFAOYSA-L
norman_susdat_id: NS00053047
pubchem_cid: 6454777
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)P(C=2C=CC=CC2)C3=CC=CC(=C3)S(=O)(=O)[O-]
inchi:
InChI=1/C18H15O6PS2.2Na/c19-26(20,21)17-10-4-8-15(12-17)25(14-6-2-1-3-7-14)16-9-5-11-18(13-16)27(22,23)24;;/h1-13H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecanoyl chloride
cas: 64018-23-1
chemspiderid: 2285208
dtxsid: DTXSID30880534
formula: C10H2Cl1F17O1
inchikey: FMAZHALGIPCISB-UHFFFAOYSA-N
norman_susdat_id: NS00019172
pubchem_cid: 3017475
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)CC(Cl)=O
inchi:
InChI=1S/C10H2ClF17O/c11-2(29)1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)28/h1H2


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecanoyl chloride
cas: 64018-26-4
chemspiderid: 2285211
dtxsid: DTXSID60880542
formula: C12H2Cl1F21O1
inchikey: DYTUUAFTUFQJQV-UHFFFAOYSA-N
norman_susdat_id: NS00010986
pubchem_cid: 3017478
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(Cl)=O
inchi:
InChI=1S/C12H2ClF21O/c13-2(35)1-3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)34/h1H2


name: 3-ethyl 4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylate
cas: 6402-06-8
dtxsid: DTXSID2064311
formula: C12H12N2O6S
inchikey: ODFCMJFINVPRFA-UHFFFAOYSA-N
norman_susdat_id: NS00046157
pubchem_cid: 80814
smiles: O=C(OCC)C1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O
inchi:
InChI=1/C12H12N2O6S/c1-2-20-12(16)10-7-11(15)14(13-10)8-3-5-9(6-4-8)21(17,18)19/h3-6H,2,7H2,1H3,(H,17,18,19)


name: Octyl (9Z,12Z)-octadeca-9,12-dienoate
cas: 64022-34-0
formula: C26H48O2
inchikey: WFMGDEZKUZALGX-HDXUUTQWSA-N
norman_susdat_id: NS00053559
pubchem_cid: 6454780
smiles: O=C(OCCCCCCCC)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C26H48O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2/h11-12,14-15H,3-10,13,16-25H2,1-2H3


name: Tetrakis(2,2,6,6-tetramethyl-4-piperidyl) butane-1,2,3,4-tetracarboxylate
cas: 64022-61-3
dtxsid: DTXSID30867047
formula: C44H78N4O8
inchikey: NZNAAUDJKMURFU-UHFFFAOYSA-N
norman_susdat_id: NS00053560
pubchem_cid: 115677
inchi:
InChI=1/C44H78N4O8/c1-37(2)19-27(20-38(3,4)45-37)53-33(49)17-31(35(51)55-29-23-41(9,10)47-42(11,12)24-29)32(36(52)56-30-25-43(13,14)48-44(15,16)26-30)18-34(50)54-28-21-39(5,6)46-40(7,8)22-28/h27-32,45-48H,17-26H2,1-16H3

smiles:
O=C(OC1CC(NC(C)(C)C1)(C)C)CC(C(=O)OC2CC(NC(C)(C)C2)(C)C)C(C(=O)OC3CC(NC(C)(C)C3)(C)C)CC(=O)OC4CC(NC(C)(C)C4)(C)C


cas: 64024-15-3
formula: C19H27NO.ClH
inchikey: OQGYMIIFOSJQSF-FHCCZTKJSA-N
norman_susdat_id: NS00087266
smiles: Cl.CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
name:
(2a,6a,11R*)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol hydrochloride

inchi:
InChI=1/C19H27NO.ClH/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19;/h5-7,12,14,18,21H,8-11H2,1-4H3;1H


name: N-decyl-4-nitrobenzamide
cas: 64026-19-3
chemspiderid: 2658799
formula: C17H26N2O3
inchikey: ZHJCYIYHOOGPQR-UHFFFAOYSA-N
norman_susdat_id: NS00003216
pubchem_cid: 3414942
smiles: CCCCCCCCCCNC(=O)c1ccc(cc1)[N+]([O-])=O
inchi:
InChI=1S/C17H26N2O3/c1-2-3-4-5-6-7-8-9-14-18-17(20)15-10-12-16(13-11-15)19(21)22/h10-13H,2-9,14H2,1H3,(H,18,20)


name: 1,1,1,3,3,4,4,6,6,7,7,9,9,10,10,12,12,13,13,15,15,15-Docosafluoro-2,5,8,11,14-pentaoxapentadecane
cas: 64028-06-4
dtxsid: DTXSID90896479
formula: C10F22O5
inchikey: WGAHPKOIQCXOMB-UHFFFAOYSA-N
norman_susdat_id: NS00112177
smiles: FC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
inchi:
InChI=1S/C10F22O5/c11-1(12,3(15,16)34-5(19,20)7(23,24)36-9(27,28)29)33-2(13,14)4(17,18)35-6(21,22)8(25,26)37-10(30,31)32


name: Leucylproline
cas: 6403-35-6
chebiid: CHEBI:155847
chemspiderid: 72971
dtxsid: DTXSID30214012
formula: C11H20N2O3
inchikey: VTJUNIYRYIAIHF-IUCAKERBSA-N
norman_susdat_id: NS00014867
pubchem_cid: NA
smiles: CC(C)CC(C(=O)N1CCCC1C(=O)O)N
inchi:
InChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t8-,9-/m0/s1


name: 1-Benzyl hydrogen (R)-pyrrolidine-1,2-dicarboxylate
cas: 6404-31-5
chemspiderid: 8640
dtxsid: DTXSID60214085
formula: C13H15N1O4
inchikey: JXGVXCZADZNAMJ-LLVKDONJSA-N
norman_susdat_id: NS00035622
pubchem_cid: 111208
smiles: [O-]C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1
inchi:
InChI=1S/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)/t11-/m1/s1


name: Sodium 4-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-1H-naphtho[1,8-de]-1,2,3-triazine-6-sulphonate
cas: 6404-46-2
dtxsid: DTXSID70884293
formula: C16H10ClN6O6S
inchikey: QTHPYOMZNZUTIF-UHFFFAOYSA-M
norman_susdat_id: NS00046158
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC(Cl)=C(O)C(N=NC2=CC(=C3C=CC=C4NN=NC2=C43)S(=O)(=O)[O-])=C1
inchi:
InChI=1/C16H9ClN6O6S.Na/c17-9-4-7(23(25)26)5-12(16(9)24)19-18-11-6-13(30(27,28)29)8-2-1-3-10-14(8)15(11)21-22-20-10;/h1-6,24H,(H,20,21)(H,27,28,29);/q;+1/p-1


name: Aspoxicillin
cas: 64045-99-4
chebiid: CHEBI:31240
chemspiderid: 64968
dtxsid: DTXSID6046921
formula: C21H27N5O7S1
inchikey: BHELIUBJHYAEDK-OAIUPTLZSA-N
norman_susdat_id: NS00011613
pubchem_cid: 71961
smiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)NC(=O)[C@@H](CC(=O)NC)N)C(=O)O)C
inchi:
InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33)/t11-,13-,14-,15+,19-/m1/s1


cas: 6405-94-3
dtxsid: DTXSID2064313
formula: C28H30N8O6S2
inchikey: KJPDHFPPVKRMMG-UHFFFAOYSA-L
norman_susdat_id: NS00046160
pubchem_cid: 21115712
name:
Disodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-diamino-5-methylbenzenesulphonate]

inchi:
InChI=1/C28H30N8O6S2.2Na/c1-13-9-17(5-7-19(13)33-35-27-23(29)15(3)11-21(25(27)31)43(37,38)39)18-6-8-20(14(2)10-18)34-36-28-24(30)16(4)12-22(26(28)32)44(40,41)42;;/h5-12H,29-32H2,1-4H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=C(N)C(N=NC=2C=CC(=CC2C)C3=CC=C(N=NC=4C(N)=C(C=C(C4N)S(=O)(=O)[O-])C)C(=C3)C)=C1N)C


name: 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)ethyl acrylate
cas: 64050-16-4
chemspiderid: 87031
dtxsid: DTXSID30214173
formula: C21H32O3
inchikey: MMXPBYQIASNXFL-UHFFFAOYSA-N
norman_susdat_id: NS00035624
pubchem_cid: 96408
smiles: CCC(C)(C)c1ccc(OCCOC(=O)C=C)c(c1)C(C)(C)CC
inchi:
InChI=1S/C21H32O3/c1-8-19(22)24-14-13-23-18-12-11-16(20(4,5)9-2)15-17(18)21(6,7)10-3/h8,11-12,15H,1,9-10,13-14H2,2-7H3


name: Diethylammonium bis(2-butoxyethyl) phosphate
cas: 64051-22-5
formula: C12H27O6P.C4H11N
inchikey: QLJHWPJKQKZSCJ-UHFFFAOYSA-N
norman_susdat_id: NS00086533
smiles: CCCCOCCOP(=O)([O-])OCCOCCCC.CC[NH2+]CC
inchi:
InChI=1/C12H27O6P.C4H11N/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2;1-3-5-4-2/h3-12H2,1-2H3,(H,13,14);5H,3-4H2,1-2H3


name: Bis(diethylammonium) 2-butoxyethyl phosphate
cas: 64051-23-6
formula: C6H15O5P.2C4H11N
inchikey: TWNWJKJGZUUOKS-UHFFFAOYSA-N
norman_susdat_id: NS00086264
smiles: CCCCOCCOP(=O)([O-])[O-].CC[NH2+]CC.CC[NH2+]CC
inchi:
InChI=1/C6H15O5P.2C4H11N/c1-2-3-4-10-5-6-11-12(7,8)9;2*1-3-5-4-2/h2-6H2,1H3,(H2,7,8,9);2*5H,3-4H2,1-2H3


name: Diethylammonium bis[2-(hexyloxy)ethyl] phosphate
cas: 64051-24-7
formula: C16H35O6P.C4H11N
inchikey: QDSQRWVNSFBMNU-UHFFFAOYSA-N
norman_susdat_id: NS00086584
smiles: CCCCCCOCCOP(=O)([O-])OCCOCCCCCC.CC[NH2+]CC
inchi:
InChI=1/C16H35O6P.C4H11N/c1-3-5-7-9-11-19-13-15-21-23(17,18)22-16-14-20-12-10-8-6-4-2;1-3-5-4-2/h3-16H2,1-2H3,(H,17,18);5H,3-4H2,1-2H3


name: Bis(diethylammonium) 2-(hexyloxy)ethyl phosphate
cas: 64051-25-8
formula: C8H19O5P.2C4H11N
inchikey: KGQFXBVYDHLJSK-UHFFFAOYSA-N
norman_susdat_id: NS00087267
smiles: CCCCCCOCCOP(=O)([O-])[O-].CC[NH2+]CC.CC[NH2+]CC
inchi:
InChI=1/C8H19O5P.2C4H11N/c1-2-3-4-5-6-12-7-8-13-14(9,10)11;2*1-3-5-4-2/h2-8H2,1H3,(H2,9,10,11);2*5H,3-4H2,1-2H3


name: Dioctadec-9-enyl phosphonate
cas: 64051-29-2
dtxsid: DTXSID4070037
formula: C36H71O3P
inchikey: OOFYMDXMQHPCQO-UHFFFAOYSA-N
norman_susdat_id: NS00054384
pubchem_cid: NA
smiles: O=P(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C36H71O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-40(37)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,40H,3-16,21-36H2,1-2H3


name: Bis[(1,1,3,3-tetramethylbutyl)phenyl] hydrogen phosphate, compound with diethylamine (1:1)
cas: 64051-35-0
formula: C28H43O4P
inchikey: GQDMCFMJRLLAFM-UHFFFAOYSA-N
norman_susdat_id: NS00054385
pubchem_cid: 14833298
smiles: O=P(O)(OC=1C=CC=CC1C(C)(C)CC(C)(C)C)OC=2C=CC=CC2C(C)(C)CC(C)(C)C.N(CC)CC
inchi:
InChI=1/C28H43O4P.C4H11N/c1-25(2,3)19-27(7,8)21-15-11-13-17-23(21)31-33(29,30)32-24-18-14-12-16-22(24)28(9,10)20-26(4,5)6;1-3-5-4-2/h11-18H,19-20H2,1-10H3,(H,29,30);5H,3-4H2,1-2H3


name: (1,1,3,3-tetramethylbutyl)phenyl dihydrogen phosphate, compound with diethylamine (1:2)
cas: 64051-37-2
formula: C14H23O4P
inchikey: OEOLLSSRUFEDDX-UHFFFAOYSA-N
norman_susdat_id: NS00053533
pubchem_cid: 54235806
smiles: O=P(O)(O)OC=1C=CC=CC1C(C)(C)CC(C)(C)C.N(CC)CC.N(CC)CC
inchi:
InChI=1/C14H23O4P.2C4H11N/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)18-19(15,16)17;2*1-3-5-4-2/h6-9H,10H2,1-5H3,(H2,15,16,17);2*5H,3-4H2,1-2H3


name: Phenol, dipentyl-, hydrogen phosphate
cas: 64051-38-3
chemspiderid: 72842
dtxsid: DTXSID9070038
formula: C32H51O4P1
inchikey: AVDUUCITKNRPLE-UHFFFAOYSA-N
norman_susdat_id: NS00020533
pubchem_cid: 116456
smiles: CCCCCc1cccc(OP(=O)(O)Oc2cccc(CCCCC)c2CCCCC)c1CCCCC
inchi:
InChI=1S/C32H51O4P/c1-5-9-13-19-27-21-17-25-31(29(27)23-15-11-7-3)35-37(33,34)36-32-26-18-22-28(20-14-10-6-2)30(32)24-16-12-8-4/h17-18,21-22,25-26H,5-16,19-20,23-24H2,1-4H3,(H,33,34)


name: Phenol, dipentyl-, dihydrogen phosphate
cas: 64051-39-4
chemspiderid: 72843
dtxsid: DTXSID4070039
formula: C16H27O4P1
inchikey: RVQOXEIOIUDSFU-UHFFFAOYSA-N
norman_susdat_id: NS00035625
pubchem_cid: 116457
smiles: CCCCCc1c(CCCCC)c(OP(=O)(O)O)ccc1
inchi:
InChI=1S/C16H27O4P/c1-3-5-7-10-14-11-9-13-16(20-21(17,18)19)15(14)12-8-6-4-2/h9,11,13H,3-8,10,12H2,1-2H3,(H2,17,18,19)


name: 1,1'-[iminobis(ethyleneiminoethylene)]bis[3-(docosenyl)pyrrolidine-2,5-dione]
cas: 64051-42-9
formula: C60H111N5O4
inchikey: CEZPZWVIPDOYIN-UHFFFAOYSA-N
norman_susdat_id: NS00053596
pubchem_cid: 71439215
smiles: O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCC)C2=O
inchi:
InChI=1/C60H111N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-55-53-57(66)64(59(55)68)51-49-62-47-45-61-46-48-63-50-52-65-58(67)54-56(60(65)69)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-44,55-56,61-63H,3-40,45-54H2,1-2H3


cas: 64051-44-1
formula: C60H111N5O4
inchikey: HXZGWNWSAJZVMR-UHFFFAOYSA-N
norman_susdat_id: NS00053067
pubchem_cid: NA
smiles: O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCC)C2=O
name:
1-[2-[[2-[[2-[[2-[3-(icosenyl)-2,5-dioxo-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(tetracosenyl)pyrrolidine-2,5-dione

inchi:
InChI=1/C60H111N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-56-54-58(67)65(60(56)69)52-50-63-48-46-61-45-47-62-49-51-64-57(66)53-55(59(64)68)43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h41-44,55-56,61-63H,3-40,45-54H2,1-2H3


cas: 64051-46-3
formula: C56H103N5O4
inchikey: BSUOJTKUSSISDB-UHFFFAOYSA-N
norman_susdat_id: NS00053549
pubchem_cid: 53422288
smiles: O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCC)C2=O
name:
1-[2-[[2-[[2-[[2-[3-(docosenyl)-2,5-dioxo-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(octadecenyl)pyrrolidine-2,5-dione

inchi:
InChI=1/C56H103N5O4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-52-50-54(63)61(56(52)65)48-46-59-44-42-57-41-43-58-45-47-60-53(62)49-51(55(60)64)39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h37-40,51-52,57-59H,3-36,41-50H2,1-2H3


cas: 64051-48-5
formula: C54H99N5O4
inchikey: XMAFNWPZFILFMN-UHFFFAOYSA-N
norman_susdat_id: NS00053068
pubchem_cid: 53422289
smiles: O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCC)C2=O
name:
1-[2-[[2-[[2-[[2-[3-(icosenyl)-2,5-dioxo-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(octadecenyl)pyrrolidine-2,5-dione

inchi:
InChI=1/C54H99N5O4/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-50-48-52(61)59(54(50)63)46-44-57-42-40-55-39-41-56-43-45-58-51(60)47-49(53(58)62)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h35-38,49-50,55-57H,3-34,39-48H2,1-2H3


name: 1,1'-[iminobis(ethyleneiminoethylene)]bis[3-(octadecenyl)pyrrolidine-2,5-dione]
cas: 64051-50-9
dtxsid: DTXSID1029386
formula: C52H95N5O4
inchikey: AZUQMKNTKCEUKF-UHFFFAOYSA-N
norman_susdat_id: NS00053069
pubchem_cid: NA
smiles: O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCC)C2=O
inchi:
InChI=1/C52H95N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-47-45-49(58)56(51(47)60)43-41-54-39-37-53-38-40-55-42-44-57-50(59)46-48(52(57)61)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36,47-48,53-55H,3-32,37-46H2,1-2H3


cas: 64051-52-1
formula: C90H171N5O4
inchikey: UWOQDALRWARZPM-UHFFFAOYSA-N
norman_susdat_id: NS00053070
pubchem_cid: 174015
name:
1-[2-[[2-[[2-[[2-[3-(hexatriacontenyl)-2,5-dioxo-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(octatriacontenyl)pyrrolidine-2,5-dione

inchi:
InChI=1/C90H171N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-86-84-88(97)95(90(86)99)82-80-93-78-76-91-75-77-92-79-81-94-87(96)83-85(89(94)98)73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h71-74,85-86,91-93H,3-70,75-84H2,1-2H3

smiles:
O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O


name: 1,1'-[iminobis(ethyleneiminoethylene)]bis[3-(hexatriacontenyl)pyrrolidine-2,5-dione]
cas: 64051-54-3
formula: C88H167N5O4
inchikey: ALSVSEQKAHYSSP-UHFFFAOYSA-N
norman_susdat_id: NS00053597
pubchem_cid: 71439216
inchi:
InChI=1/C88H167N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-83-81-85(94)92(87(83)96)79-77-90-75-73-89-74-76-91-78-80-93-86(95)82-84(88(93)97)72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h69-72,83-84,89-91H,3-68,73-82H2,1-2H3

smiles:
O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O


name: 3-(tetratetracontenyl)succinic anhydride
cas: 64051-56-5
dtxsid: DTXSID10982444
formula: C48H90O3
inchikey: LAWIYPAPVJXCEF-UHFFFAOYSA-N
norman_susdat_id: NS00053550
pubchem_cid: 57352010
smiles: O=C1OC(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1
inchi:
InChI=1/C48H90O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-46-45-47(49)51-48(46)50/h43-44,46H,2-42,45H2,1H3


name: 3-(dotetracontenyl)succinic anhydride
cas: 64051-58-7
dtxsid: DTXSID70982445
formula: C46H86O3
inchikey: OHPDUABGEYJECH-UHFFFAOYSA-N
norman_susdat_id: NS00053071
pubchem_cid: 57352011
smiles: O=C1OC(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1
inchi:
InChI=1/C46H86O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-43-45(47)49-46(44)48/h41-42,44H,2-40,43H2,1H3


name: 3-(hexatriacontenyl)succinic anhydride
cas: 64051-60-1
dtxsid: DTXSID30982446
formula: C40H74O3
inchikey: NEHHNLSBIICULC-UHFFFAOYSA-N
norman_susdat_id: NS00053598
pubchem_cid: NA
smiles: O=C1OC(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1
inchi:
InChI=1/C40H74O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-37-39(41)43-40(38)42/h35-36,38H,2-34,37H2,1H3


name: 5,7-dichloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-1,2-dihydro-3H-indol-3-one
cas: 6406-10-6
formula: C17H8Cl3NO2S
inchikey: PDNYEKQEUOFYRP-UHFFFAOYSA-N
norman_susdat_id: NS00046161
pubchem_cid: NA
smiles: O=C1C=2C=C(Cl)C=C(Cl)C2NC1=C3SC4=CC(Cl)=CC(=C4C3=O)C
inchi:
InChI=1/C17H8Cl3NO2S/c1-6-2-7(18)5-11-12(6)16(23)17(24-11)14-15(22)9-3-8(19)4-10(20)13(9)21-14/h2-5,21H,1H3


name: Disodium 8-(phenylamino)-5-[[4-(phenylazo)-7-sulphonato-1-naphthyl]azo]naphthalenesulphonate
cas: 6406-30-0
formula: C32H23N5O6S2
inchikey: CEEVGWJZICQAEK-UHFFFAOYSA-L
norman_susdat_id: NS00047449
pubchem_cid: 454265
inchi:
InChI=1/C32H23N5O6S2.2Na/c38-44(39,40)23-14-15-24-26(20-23)29(17-16-27(24)35-34-22-10-5-2-6-11-22)37-36-28-18-19-30(33-21-8-3-1-4-9-21)32-25(28)12-7-13-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC=3C=CC=CC3)=CC=C(N=NC=4C=CC(NC=5C=CC=CC5)=C6C4C=CC=C6S(=O)(=O)[O-])C2C1


name: Disodium 8-[(4-methylphenyl)amino]-5-[[4-(phenylazo)-7-sulphonatonaphthyl]azo]naphthalenesulphonate
cas: 6406-32-2
dtxsid: DTXSID00889519
formula: C33H25N5O6S2
inchikey: WIJFNHCSNFYEFH-UHFFFAOYSA-L
norman_susdat_id: NS00046938
pubchem_cid: 80822
inchi:
InChI=1/C33H25N5O6S2.2Na/c1-21-10-12-22(13-11-21)34-31-19-18-29(26-8-5-9-32(33(26)31)46(42,43)44)37-38-30-17-16-28(36-35-23-6-3-2-4-7-23)25-15-14-24(20-27(25)30)45(39,40)41;;/h2-20,34H,1H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC=3C=CC=CC3)=CC=C(N=NC=4C=CC(NC5=CC=C(C=C5)C)=C6C4C=CC=C6S(=O)(=O)[O-])C2C1


name: Disodium 3-methyl-5-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]salicylate
cas: 6406-37-7
formula: C20H16N4O6S
inchikey: QDIHQVJQQREQPW-UHFFFAOYSA-L
norman_susdat_id: NS00046185
pubchem_cid: 80825
smiles: [Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C=C2)=CC(=C1O)C
inchi:
InChI=1/C20H16N4O6S.2Na/c1-12-10-16(11-18(19(12)25)20(26)27)24-23-14-4-2-13(3-5-14)21-22-15-6-8-17(9-7-15)31(28,29)30;;/h2-11,25H,1H3,(H,26,27)(H,28,29,30);;/q;2*+1/p-2


name: Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate
cas: 6406-56-0
dtxsid: DTXSID30884294
formula: C22H16N4O4S
inchikey: QERXHBDEEFLTOL-UHFFFAOYSA-M
norman_susdat_id: NS00047450
pubchem_cid: 22908
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC3=C(O)C=CC=4C=CC=CC43)C=C2)C=C1
inchi:
InChI=1/C22H16N4O4S.Na/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30;/h1-14,27H,(H,28,29,30);/q;+1/p-1


name: Sodium 4-[[5-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]-2-methylphenyl]azo]benzenesulphonate
cas: 6406-60-6
formula: C23H18N4O5S
inchikey: KDQWLTCURSXZSP-UHFFFAOYSA-M
norman_susdat_id: NS00046939
pubchem_cid: 3014470
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC(O)=C(N=NC3=C(O)C=CC=4C=CC=CC43)C=C2C)C=C1
inchi:
InChI=1/C23H18N4O5S.Na/c1-14-12-20(26-27-23-18-5-3-2-4-15(18)6-11-21(23)28)22(29)13-19(14)25-24-16-7-9-17(10-8-16)33(30,31)32;/h2-13,28-29H,1H3,(H,30,31,32);/q;+1/p-1


name: Sodium 2-chloro-5-[[5-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]-o-tolyl]azo]benzenesulphonate
cas: 6406-61-7
formula: C23H17ClN4O5S
inchikey: FVHLRYJLFWZJDH-UHFFFAOYSA-M
norman_susdat_id: NS00046910
pubchem_cid: 3014472
smiles: [Na+].O=S(=O)([O-])C1=CC(N=NC2=CC(O)=C(N=NC3=C(O)C=CC=4C=CC=CC43)C=C2C)=CC=C1Cl
inchi:
InChI=1/C23H17ClN4O5S.Na/c1-13-10-19(27-28-23-16-5-3-2-4-14(16)6-9-20(23)29)21(30)12-18(13)26-25-15-7-8-17(24)22(11-15)34(31,32)33;/h2-12,29-30H,1H3,(H,31,32,33);/q;+1/p-1


name: Disodium 5-(p-acetamidoanilino)-8-amino-9,10-dihydro-9,10-dioxoanthracene-1,7-disulphonate
cas: 6406-75-3
formula: C22H17N3O9S2.2Na
inchikey: OTJXMJHWJNQOMR-UHFFFAOYSA-L
norman_susdat_id: NS00082301
smiles: [Na+].[Na+].CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4c(cccc4S(=O)(=O)[O-])C(=O)c23)S(=O)(=O)[O-])cc1
inchi:
InChI=1/C22H17N3O9S2.2Na/c1-10(26)24-11-5-7-12(8-6-11)25-14-9-16(36(32,33)34)20(23)19-18(14)21(27)13-3-2-4-15(35(29,30)31)17(13)22(19)28;;/h2-9,25H,23H2,1H3,(H,24,26)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2


cas: 6406-87-7
formula: C36H25N7O10S3
inchikey: GLMGZPBESXZAHR-UHFFFAOYSA-K
norman_susdat_id: NS00046941
pubchem_cid: 135565390
name:
Trisodium 5-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-8-[[4-(phenylazo)-7-sulphonatonaphthyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C36H25N7O10S3.3Na/c37-21-7-6-20-16-34(56(51,52)53)35(36(44)27(20)17-21)43-42-31-13-15-33(29-19-24(55(48,49)50)9-11-26(29)31)41-40-32-14-12-30(39-38-22-4-2-1-3-5-22)25-10-8-23(18-28(25)32)54(45,46)47;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC=3C=CC=CC3)=CC=C(N=NC4=CC=C(N=NC5=C(O)C6=CC(N)=CC=C6C=C5S(=O)(=O)[O-])C=7C=CC(=CC47)S(=O)(=O)[O-])C2C1


name: 2,2'-Methylenebis(6-cyclopentyl-p-cresol)
cas: 64062-73-3
chemspiderid: 4957086
dtxsid: DTXSID30214259
formula: C25H32O2
inchikey: IZJOSLLELCZERT-UHFFFAOYSA-N
norman_susdat_id: NS00035628
pubchem_cid: 6454783
smiles: Cc1cc(C2CCCC2)c(O)c(Cc2cc(C)cc(C3CCCC3)c2O)c1
inchi:
InChI=1S/C25H32O2/c1-16-11-20(24(26)22(13-16)18-7-3-4-8-18)15-21-12-17(2)14-23(25(21)27)19-9-5-6-10-19/h11-14,18-19,26-27H,3-10,15H2,1-2H3


name: Disodium 2,2'-[(octylimino)bis[(1-oxopropane-3,1-diyl)imino]]bis[2-methylpropanesulphonate]
cas: 64062-76-6
dtxsid: DTXSID3070042
formula: C22H45N3O8S2
inchikey: IPMVUCNHGNYNPF-UHFFFAOYSA-L
norman_susdat_id: NS00053280
pubchem_cid: 116528
smiles: [Na+].[Na+].O=C(NC(C)(C)CS(=O)(=O)[O-])CCN(CCC(=O)NC(C)(C)CS(=O)(=O)[O-])CCCCCCCC
inchi:
InChI=1/C22H45N3O8S2.2Na/c1-6-7-8-9-10-11-14-25(15-12-19(26)23-21(2,3)17-34(28,29)30)16-13-20(27)24-22(4,5)18-35(31,32)33;;/h6-18H2,1-5H3,(H,23,26)(H,24,27)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


name: 3-hydroxy-4-[(2-methoxy-4-nitrophenyl)azo]-N-naphthylnaphthalene-2-carboxamide
cas: 6407-71-2
formula: C28H21N4O5
inchikey: CJDUJPKPZLUDQT-UHFFFAOYSA-N
norman_susdat_id: NS00047466
pubchem_cid: 136086374
smiles: O=C(NC1=CC=CC=2C=CC=CC21)C3=CC=4C=CC=CC4C(N=NC5=CC=C(C=C5OC)[N+](=O)[O-])=C3O
inchi:
InChI=1/C28H20N4O5/c1-37-25-16-19(32(35)36)13-14-24(25)30-31-26-21-11-5-3-8-18(21)15-22(27(26)33)28(34)29-23-12-6-9-17-7-2-4-10-20(17)23/h2-16,33H,1H3,(H,29,34)


name: 4-[(2-chlorophenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
cas: 6407-74-5
dtxsid: DTXSID50863783
formula: C16H13ClN4O
inchikey: YYKCUFRKHHBXON-UHFFFAOYSA-N
norman_susdat_id: NS00046911
pubchem_cid: 110843
smiles: O=C1N(N=C(C)C1N=NC=2C=CC=CC2Cl)C=3C=CC=CC3
inchi:
InChI=1/C16H13ClN4O/c1-11-15(19-18-14-10-6-5-9-13(14)17)16(22)21(20-11)12-7-3-2-4-8-12/h2-10,15H,1H3


name: 4-[(2,5-dichlorophenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
cas: 6407-75-6
dtxsid: DTXSID50884296
formula: C16H12Cl2N4O
inchikey: SYIDJAUAPDQFRN-UHFFFAOYSA-N
norman_susdat_id: NS00046912
pubchem_cid: 21118695
smiles: O=C1N(N=C(C)C1N=NC2=CC(Cl)=CC=C2Cl)C=3C=CC=CC3
inchi:
InChI=1/C16H12Cl2N4O/c1-10-15(20-19-14-9-11(17)7-8-13(14)18)16(23)22(21-10)12-5-3-2-4-6-12/h2-9,15H,1H3


name: 2,4-dihydro-5-methyl-4-[(4-methyl-2-nitrophenyl)azo]-2-phenyl-3H-pyrazol-3-one
cas: 6407-77-8
formula: C17H16N5O3
inchikey: GNRVYZDPVPJTCP-UHFFFAOYSA-N
norman_susdat_id: NS00047467
pubchem_cid: 110845
smiles: O=C1N(N=C(C)C1N=NC2=CC=C(C=C2[N+](=O)[O-])C)C=3C=CC=CC3
inchi:
InChI=1/C17H15N5O3/c1-11-8-9-14(15(10-11)22(24)25)18-19-16-12(2)20-21(17(16)23)13-6-4-3-5-7-13/h3-10,16H,1-2H3


name: 4-[(2,4-dimethylphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
cas: 6407-78-9
dtxsid: DTXSID10863784
formula: C18H18N4O
inchikey: KLQVCADYSBUVAV-UHFFFAOYSA-N
norman_susdat_id: NS00046942
pubchem_cid: 110846
smiles: O=C1N(N=C(C)C1N=NC2=CC=C(C=C2C)C)C=3C=CC=CC3
inchi:
InChI=1/C18H18N4O/c1-12-9-10-16(13(2)11-12)19-20-17-14(3)21-22(18(17)23)15-7-5-4-6-8-15/h4-11,17H,1-3H3


name: 4-hydroxy-3-[(2-nitrophenyl)azo]-2-quinolone
cas: 6407-81-4
formula: C15H11N4O4
inchikey: CHCSKFZSJAOUBL-UHFFFAOYSA-N
norman_susdat_id: NS00046943
pubchem_cid: NA
smiles: O=C1NC=2C=CC=CC2C(O)=C1N=NC=3C=CC=CC3[N+](=O)[O-]
inchi:
InChI=1/C15H10N4O4/c20-14-9-5-1-2-6-10(9)16-15(21)13(14)18-17-11-7-3-4-8-12(11)19(22)23/h1-8H,(H2,16,20,21)


name: Sodium 6-(1-naphthylazo)naphthalene-2-sulphonate
cas: 6407-85-8
dtxsid: DTXSID10884297
formula: C20H14N2O3S
inchikey: TUJPIQXJCDUAEN-UHFFFAOYSA-M
norman_susdat_id: NS00046913
pubchem_cid: 160826
smiles: [Na+].O=S(=O)([O-])C1=CC=C2C=C(N=NC3=CC=CC=4C=CC=CC34)C=CC2=C1
inchi:
InChI=1/C20H14N2O3S.Na/c23-26(24,25)18-11-9-15-12-17(10-8-16(15)13-18)21-22-20-7-3-5-14-4-1-2-6-19(14)20;/h1-13H,(H,23,24,25);/q;+1/p-1


name: Dibekacin sulphate (1:1)
cas: 64070-13-9
formula: C18H37N5O8.H2O4S
inchikey: GXKUKBCVZHBTJW-USXQJGOZSA-L
norman_susdat_id: NS00087053
inchi:
InChI=1/C18H37N5O8.H2O4S/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18;1-5(2,3)4/h6-18,24-27H,1-5,19-23H2;(H2,1,2,3,4)/p-2

smiles:
NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1.[O-]S(=O)(=O)[O-]


name: Propanenitrile, 3-[[4-[(2-bromo-4-nitrophenyl)azo]phenyl](2-phenylethyl)amino]-
cas: 64071-85-8
chemspiderid: 104185
dtxsid: DTXSID8070043
formula: C23H20Br1N5O2
inchikey: ZAHBEAVYBXUUQZ-UHFFFAOYSA-N
norman_susdat_id: NS00035630
pubchem_cid: 116534
smiles: [O-][N+](=O)c1cc(Br)c(cc1)N=Nc1ccc(cc1)N(CCC#N)CCc1ccccc1
inchi:
InChI=1S/C23H20BrN5O2/c24-22-17-21(29(30)31)11-12-23(22)27-26-19-7-9-20(10-8-19)28(15-4-14-25)16-13-18-5-2-1-3-6-18/h1-3,5-12,17H,4,13,15-16H2


name: 2,5-dimethoxy-4-[(4-nitrophenyl)azo]benzenediazonium tetrachlorozincate (2:1)
cas: 64071-86-9
formula: C14H12N5O4.1/2Cl4Zn
inchikey: NZWZSUSPTZUGNN-UHFFFAOYSA-J
norman_susdat_id: NS00086324
inchi:
InChI=1/2C14H12N5O4.4ClH.Zn/c2*1-22-13-8-12(14(23-2)7-11(13)16-15)18-17-9-3-5-10(6-4-9)19(20)21;;;;;/h2*3-8H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H12N5O4.Cl4Zn/c2*1-22-13-8-12(14(23-2)7-11(13)16-15)18-17-9-3-5-10(6-4-9)19(20)21;1-5(2,3)4/h2*3-8H,1-2H3;/q2*+1;-2

smiles:
COc2cc([N+]#N)c(cc2N=Nc1ccc(cc1)[N+]([O-])=O)OC.Cl[Zn-2](Cl)(Cl)Cl.[O-][N+](=O)c1ccc(cc1)N=Nc2cc(OC)c([N+]#N)cc2OC


name: 9H-Carbazole, 3-[(2-chloro-4-nitrophenyl)azo]-
cas: 64071-87-0
chemspiderid: 101486
dtxsid: DTXSID3070044
formula: C18H11Cl1N4O2
inchikey: SZVQEOMBVJZINC-UHFFFAOYSA-N
norman_susdat_id: NS00035631
pubchem_cid: 116535
smiles: [O-][N+](=O)c1cc(Cl)c(cc1)N=Nc1cc2c([nH]c3ccccc23)cc1
inchi:
InChI=1S/C18H11ClN4O2/c19-15-10-12(23(24)25)6-8-18(15)22-21-11-5-7-17-14(9-11)13-3-1-2-4-16(13)20-17/h1-10,20H/b22-21+


name: Valopicitabine
cas: 640725-71-9
dtxsid: DTXSID70214011
formula: C15H24N4O6
inchikey: TVRCRTJYMVTEFS-ICGCPXGVSA-N
norman_susdat_id: NS00072635
pubchem_cid: 6918726
smiles: CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@]1(C)O
inchi:
InChI=1S/C15H24N4O6/c1-7(2)10(17)12(21)25-11-8(6-20)24-13(15(11,3)23)19-5-4-9(16)18-14(19)22/h4-5,7-8,10-11,13,20,23H,6,17H2,1-3H3,(H2,16,18,22)/t8-,10+,11-,13-,15-/m1/s1


name: CI 18736
cas: 6408-26-0
chemspiderid: 10153058
formula: C17H15Cl1N4O2
inchikey: JKTFCZKDYFSFAA-FMQUCBEESA-N
norman_susdat_id: NS00013486
pubchem_cid: NA
inchi:
InChI=1S/2C17H15ClN4O2.Cr.2Na/c2*1-10-8-12(18)9-14(16(10)23)19-20-15-11(2)21-22(17(15)24)13-6-4-3-5-7-13;;;/h2*3-9H,1-2H3,(H2,19,20,21,23,24);;;/q;;+3;2*+1/p-3

smiles:
[Na+].[Na+].[Cr+3]|1|2|3|4(|[O-]c5c(C)cc(Cl)cc5N|1=NC6=C(C)[N-]N(c7ccccc7)C6=O|2)|[O-]c8c(C)cc(Cl)cc8N|3=NC9=C(C)[N-]N(c%10ccccc%10)C9=O|4.[H+]


name: Sodium 5-[[4-(acetylamino)phenyl]azo]salicylate
cas: 6408-39-5
dtxsid: DTXSID7064316
formula: C15H13N3O4
inchikey: GTYIXXVMPDCSMV-UHFFFAOYSA-M
norman_susdat_id: NS00046944
pubchem_cid: 80832
smiles: [Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)NC(=O)C)=CC=C1O
inchi:
InChI=1/C15H13N3O4.Na/c1-9(19)16-10-2-4-11(5-3-10)17-18-12-6-7-14(20)13(8-12)15(21)22;/h2-8,20H,1H3,(H,16,19)(H,21,22);/q;+1/p-1


name: 9,10-Anthracenedione, 1-amino-4-(cyclohexylamino)- 6408-45-3 | DTXSID2064317
cas: 6408-45-3
dtxsid: DTXSID2064317
formula: C20H20N2O2
inchikey: KXKQOXULEPSPIU-UHFFFAOYSA-N
norman_susdat_id: NS00046210
pubchem_cid: 80833
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(N)C13)NC4CCCCC4
inchi:
InChI=1/C20H20N2O2/c21-15-10-11-16(22-12-6-2-1-3-7-12)18-17(15)19(23)13-8-4-5-9-14(13)20(18)24/h4-5,8-12,22H,1-3,6-7,21H2


name: 9,10-Anthracenedione, 1-(methylamino)-4-[(3-methylphenyl)amino]-
cas: 6408-50-0
chemspiderid: 72981
dtxsid: DTXSID7064318
formula: C22H18N2O2
inchikey: GBAJQXFGDKEDBM-UHFFFAOYSA-N
norman_susdat_id: NS00020863
pubchem_cid: 80834
smiles: CNc1c2C(=O)c3c(cccc3)C(=O)c2c(Nc2cc(C)ccc2)cc1
inchi:
InChI=1S/C22H18N2O2/c1-13-6-5-7-14(12-13)24-18-11-10-17(23-2)19-20(18)22(26)16-9-4-3-8-15(16)21(19)25/h3-12,23-24H,1-2H3


name: Sodium 4-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthryl]amino]toluene-3-sulphonate
cas: 6408-51-1
formula: C22H18N2O5S.Na
inchikey: RIJLWEYDGZAVGC-UHFFFAOYSA-M
norman_susdat_id: NS00082335
smiles: [Na+].CNc1ccc(Nc2ccc(C)cc2S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c13
inchi:
InChI=1/C22H18N2O5S.Na/c1-12-7-8-15(18(11-12)30(27,28)29)24-17-10-9-16(23-2)19-20(17)22(26)14-6-4-3-5-13(14)21(19)25;/h3-11,23-24H,1-2H3,(H,27,28,29);/q;+1/p-1


name: Disodium 2,2'-(9,10-dioxoanthracene-1,4-diyldiimino)bis(5-butylbenzenesulphonate
cas: 6408-57-7
formula: C34H34N2O8S2.2Na
inchikey: BOXAUJCFZBSNKZ-UHFFFAOYSA-L
norman_susdat_id: NS00082302
smiles: CCCCc1ccc(Nc2ccc(Nc3ccc(CCCC)cc3S(=O)(=O)O[Na])c4C(=O)c5ccccc5C(=O)c24)c(c1)S(=O)(=O)O[Na]
inchi:
InChI=1/C34H34N2O8S2.2Na/c1-3-5-9-21-13-15-25(29(19-21)45(39,40)41)35-27-17-18-28(32-31(27)33(37)23-11-7-8-12-24(23)34(32)38)36-26-16-14-22(10-6-4-2)20-30(26)46(42,43)44;;/h7-8,11-20,35-36H,3-6,9-10H2,1-2H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/rC34H32N2Na2O8S2/c1-3-5-9-21-13-15-25(29(19-21)47(41,42)45-37)35-27-17-18-28(32-31(27)33(39)23-11-7-8-12-24(23)34(32)40)36-26-16-14-22(10-6-4-2)20-30(26)48(43,44)46-38/h7-8,11-20,35-36H,3-6,9-10H2,1-2H3


name: C.I. Acid Violet 34, disodium salt
cas: 6408-63-5
chemspiderid: 21172424
dtxsid: DTXSID1041716
formula: C28H22N2O8S2
inchikey: FBNCDTLHQPLASV-UHFFFAOYSA-L
norman_susdat_id: NS00020221
pubchem_cid: NA
smiles: [Na+].[Na+].Cc1cc(c(Nc2cccc3c2C(=O)c2cccc(Nc4c(cc(C)cc4)S(=O)(=O)[O-])c2C3=O)cc1)S(=O)(=O)[O-]
inchi:
InChI=1S/C28H22N2O8S2/c1-15-9-11-19(23(13-15)39(33,34)35)29-21-7-3-5-17-25(21)27(31)18-6-4-8-22(26(18)28(17)32)30-20-12-10-16(2)14-24(20)40(36,37)38/h3-14,29-30H,1-2H3,(H,33,34,35)(H,36,37,38)


name: Sodium 1,4-diamino-9,10-dihydro-9,10-dioxo-3-phenoxyanthracene-2-sulphonate
cas: 6408-71-5
dtxsid: DTXSID70884298
formula: C20H14N2O6S
inchikey: VEDWALQVJHMFCC-UHFFFAOYSA-M
norman_susdat_id: NS00047468
pubchem_cid: 3014475
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=C(OC=4C=CC=CC4)C(N)=C13)S(=O)(=O)[O-]
inchi:
InChI=1/C20H14N2O6S.Na/c21-15-13-14(18(24)12-9-5-4-8-11(12)17(13)23)16(22)20(29(25,26)27)19(15)28-10-6-2-1-3-7-10;/h1-9H,21-22H2,(H,25,26,27);/q;+1/p-1


name: 9,10-Anthracenedione, 1,4-diamino-2,3-diphenoxy-
cas: 6408-72-6
chemspiderid: 72986
dtxsid: DTXSID1064320
formula: C26H18N2O4
inchikey: NZTGGRGGJFCKGG-UHFFFAOYSA-N
norman_susdat_id: NS00020016
pubchem_cid: 80839
smiles: Nc1c(Oc2ccccc2)c(Oc2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O
inchi:
InChI=1S/C26H18N2O4/c27-21-19-20(24(30)18-14-8-7-13-17(18)23(19)29)22(28)26(32-16-11-5-2-6-12-16)25(21)31-15-9-3-1-4-10-15/h1-14H,27-28H2


name: Disodium 4,4'-[(1,4-diamino-9,10-dihydro-9,10-dioxo-2,3-anthrylene)bis(oxy)]bis[benzenesulphonate]
cas: 6408-73-7
formula: C26H18N2O10S2.2Na
inchikey: JJSCWNMFFCKNEU-UHFFFAOYSA-L
norman_susdat_id: NS00082303
smiles: Nc1c(Oc2ccc(cc2)S(=O)(=O)O[Na])c(Oc3ccc(cc3)S(=O)(=O)O[Na])c(N)c4C(=O)c5ccccc5C(=O)c14
inchi:
InChI=1/C26H18N2O10S2.2Na/c27-21-19-20(24(30)18-4-2-1-3-17(18)23(19)29)22(28)26(38-14-7-11-16(12-8-14)40(34,35)36)25(21)37-13-5-9-15(10-6-13)39(31,32)33;;/h1-12H,27-28H2,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/rC26H16N2Na2O10S2/c27-21-19-20(24(32)18-4-2-1-3-17(18)23(19)31)22(28)26(38-14-7-11-16(12-8-14)42(35,36)40-30)25(21)37-13-5-9-15(10-6-13)41(33,34)39-29/h1-12H,27-28H2


name: Acid Blue 25
cas: 6408-78-2
chemspiderid: 21462
dtxsid: DTXSID2044711
formula: C20H14N2O5S1
inchikey: LIKZXCROQGHXTI-UHFFFAOYSA-M
norman_susdat_id: NS00019737
pubchem_cid: 23675622
smiles: [Na+].Nc1c2C(=O)c3c(cccc3)C(=O)c2c(Nc2ccccc2)cc1S(=O)(=O)[O-]
inchi:
InChI=1S/C20H14N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2,(H,25,26,27)


name: C.I. Acid Blue 145
cas: 6408-80-6
chemspiderid: 56365
dtxsid: DTXSID7041704
formula: C21H16N2O8S2
inchikey: RHCZISCTNGVWCV-UHFFFAOYSA-L
norman_susdat_id: NS00020327
pubchem_cid: 62606
smiles: [Na+].[Na+].Cc1cc(c(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(N)c(c2)S(=O)(=O)[O-])cc1)S(=O)(=O)[O-]
inchi:
InChI=1S/C21H16N2O8S2/c1-10-6-7-13(15(8-10)32(26,27)28)23-14-9-16(33(29,30)31)19(22)18-17(14)20(24)11-4-2-3-5-12(11)21(18)25/h2-9,23H,22H2,1H3,(H,26,27,28)(H,29,30,31)


name: Disodium 2-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]benzoate
cas: 6408-82-8
formula: C17H12N2O6S
inchikey: RLXKNVVCQQCHAX-UHFFFAOYSA-L
norman_susdat_id: NS00046991
pubchem_cid: 165464
smiles: [Na+].[Na+].O=C([O-])C=1C=CC=CC1N=NC=2C=C(C=3C=CC=CC3C2O)S(=O)(=O)[O-]
inchi:
InChI=1/C17H12N2O6S.2Na/c20-16-11-6-2-1-5-10(11)15(26(23,24)25)9-14(16)19-18-13-8-4-3-7-12(13)17(21)22;;/h1-9,20H,(H,21,22)(H,23,24,25);;/q;2*+1/p-2


name: Sodium 2-[[4-[[3-methyl-4-[(phenylsulphonyl)oxy]phenyl]azo]phenyl]amino]-5-nitrobenzenesulphonate
cas: 6408-90-8
dtxsid: DTXSID30884299
formula: C25H21N4O8S2
inchikey: JJOZGUHSYVEZEB-UHFFFAOYSA-M
norman_susdat_id: NS00046948
pubchem_cid: NA
inchi:
InChI=1/C25H20N4O8S2.Na/c1-17-15-20(11-14-24(17)37-39(35,36)22-5-3-2-4-6-22)28-27-19-9-7-18(8-10-19)26-23-13-12-21(29(30)31)16-25(23)38(32,33)34;/h2-16,26H,1H3,(H,32,33,34);/q;+1/p-1

smiles:
[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC3=CC=C(OS(=O)(=O)C=4C=CC=CC4)C(=C3)C)C=C2)C(=C1)S(=O)(=O)[O-]


name: Disodium 3-methyl-5-[(4-sulphonatophenyl)azo]salicylate
cas: 6408-91-9
formula: C14H12N2O6S
inchikey: HSMKYUPVPFDCDV-UHFFFAOYSA-L
norman_susdat_id: NS00046232
pubchem_cid: 80843
smiles: [Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)S(=O)(=O)[O-])=CC(=C1O)C
inchi:
InChI=1/C14H12N2O6S.2Na/c1-8-6-10(7-12(13(8)17)14(18)19)16-15-9-2-4-11(5-3-9)23(20,21)22;;/h2-7,17H,1H3,(H,18,19)(H,20,21,22);;/q;2*+1/p-2


name: Dipotassium 3-[[5-(tert-butyl)-2-hydroxyphenyl]azo]-2-hydroxy-5-nitrobenzenesulphonate
cas: 6408-99-7
dtxsid: DTXSID6064321
formula: C16H18N3O7S
inchikey: GNZIRZBFFNMWAT-UHFFFAOYSA-L
norman_susdat_id: NS00046949
pubchem_cid: 135853483
inchi:
InChI=1/2C16H17N3O7S.2K/c2*1-16(2,3)9-4-5-13(20)11(6-9)17-18-12-7-10(19(22)23)8-14(15(12)21)27(24,25)26;;/h2*4-8,20-21H,1-3H3,(H,24,25,26);;/q;;2*+1/p-2

smiles:
[K+].[K+].O=[N+]([O-])C1=CC(N=NC2=CC(=CC=C2O)C(C)(C)C)=C(O)C(=C1)S(=O)(=O)[O-].O=[N+]([O-])C1=CC(N=NC2=CC(=CC=C2O)C(C)(C)C)=C(O)C(=C1)S(=O)(=O)[O-]


name: Hexadecyl octadecyl phthalate
cas: 64084-40-8
dtxsid: DTXSID30982582
formula: C42H74O4
inchikey: BGJQSDSYIDKLTR-UHFFFAOYSA-N
norman_susdat_id: NS00054082
pubchem_cid: 3017480
smiles: O=C(OCCCCCCCCCCCCCCCC)C=1C=CC=CC1C(=O)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C42H74O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-34-38-46-42(44)40-36-32-31-35-39(40)41(43)45-37-33-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31-32,35-36H,3-30,33-34,37-38H2,1-2H3


name: 1-[2-[[2-chloro-4-[(4-nitrophenyl)azo]phenyl]amino]ethyl]-4-methylpyridinium chloride
cas: 64086-73-3
formula: C20H20ClN5O2
inchikey: DJJBNWJHPZGBMV-UHFFFAOYSA-M
norman_susdat_id: NS00052784
pubchem_cid: 6454789
smiles: [Cl-].O=[N+]([O-])C1=CC=C(N=NC2=CC=C(NCC[N+]3=CC=C(C=C3)C)C(Cl)=C2)C=C1
inchi:
InChI=1/C20H19ClN5O2.ClH/c1-15-8-11-25(12-9-15)13-10-22-20-7-4-17(14-19(20)21)24-23-16-2-5-18(6-3-16)26(27)28;/h2-9,11-12,14,22H,10,13H2,1H3;1H/q+1;/p-1


name: 1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium hydrogen sulphate
cas: 64086-81-3
dtxsid: DTXSID60890924
formula: C21H21Cl2N5O2
inchikey: WWVHJFVMRCTKCV-UHFFFAOYSA-M
norman_susdat_id: NS00052785
pubchem_cid: NA
smiles: [H+].O=[N+]([O-])C1=CC(Cl)=C(N=NC2=CC=C(C=C2)N(CC)CC[N+]=3C=CC=CC3)C(Cl)=C1.O=S(=O)([O-])[O-]
inchi:
InChI=1/C21H20Cl2N5O2.H2O4S.H2/c1-2-27(13-12-26-10-4-3-5-11-26)17-8-6-16(7-9-17)24-25-21-19(22)14-18(28(29)30)15-20(21)23;1-5(2,3)4;/h3-11,14-15H,2,12-13H2,1H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


cas: 64086-95-9
chemspiderid: 101489
dtxsid: DTXSID3070046
formula: C26H21Br1N6O2
inchikey: NYLRCVQCELLYNI-UHFFFAOYSA-N
norman_susdat_id: NS00021291
pubchem_cid: 116538
smiles: CC(C)Nc1nc(nc(Nc2cc(Br)c(N)c3c2C(=O)c2c(cccc2)C3=O)n1)c1ccccc1
name:
9,10-Anthracenedione, 1-amino-2-bromo-4-[[4-[(1-methylethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]-

inchi:
InChI=1S/C26H21BrN6O2/c1-13(2)29-25-31-24(14-8-4-3-5-9-14)32-26(33-25)30-18-12-17(27)21(28)20-19(18)22(34)15-10-6-7-11-16(15)23(20)35/h3-13H,28H2,1-2H3,(H2,29,30,31,32,33)


cas: 64086-96-0
chemspiderid: 72853
dtxsid: DTXSID8070047
formula: C28H24N6O3
inchikey: ZNPYBNNSPKOGPQ-UHFFFAOYSA-N
norman_susdat_id: NS00035635
pubchem_cid: 116539
smiles: CC(C)Nc1nc(nc(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(N)c(c2)C(=O)C)n1)c1ccccc1
name:
9,10-Anthracenedione, 2-acetyl-1-amino-4-[[4-[(1-methylethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]-

inchi:
InChI=1S/C28H24N6O3/c1-14(2)30-27-32-26(16-9-5-4-6-10-16)33-28(34-27)31-20-13-19(15(3)35)23(29)22-21(20)24(36)17-11-7-8-12-18(17)25(22)37/h4-14H,29H2,1-3H3,(H2,30,31,32,33,34)


name: Sodium 4-[(2,4-dihydroxyphenyl)azo]-3-hydroxynaphthalene-1-sulphonate
cas: 6409-02-5
formula: C16H12N2O6S
inchikey: PGWPKNCAOITGHF-UHFFFAOYSA-M
norman_susdat_id: NS00046950
pubchem_cid: 85517
smiles: [Na+].O=S(=O)([O-])C1=CC(O)=C(N=NC2=CC=C(O)C=C2O)C=3C=CC=CC31
inchi:
InChI=1/C16H12N2O6S.Na/c19-9-5-6-12(13(20)7-9)17-18-16-11-4-2-1-3-10(11)15(8-14(16)21)25(22,23)24;/h1-8,19-21H,(H,22,23,24);/q;+1/p-1


name: Sodium 2,4-dihydroxy-5-[(4-nitrophenyl)azo]benzoate
cas: 6409-04-7
formula: C13H10N3O6
inchikey: CTOGLBZDWDTYCG-UHFFFAOYSA-M
norman_susdat_id: NS00047508
pubchem_cid: NA
smiles: [Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)[N+](=O)[O-])=C(O)C=C1O
inchi:
InChI=1/C13H9N3O6.Na/c17-11-6-12(18)10(5-9(11)13(19)20)15-14-7-1-3-8(4-2-7)16(21)22;/h1-6,17-18H,(H,19,20);/q;+1/p-1


name: Sodium 2-chloro-6-[(4-hydroxy-1-naphthyl)azo]toluene-4-sulphonate
cas: 6409-09-2
dtxsid: DTXSID1064322
formula: C17H13ClN2O4S
inchikey: WEQUWGNSDIJACH-UHFFFAOYSA-M
norman_susdat_id: NS00046233
pubchem_cid: 80847
smiles: [Na+].O=S(=O)([O-])C1=CC(Cl)=C(C(N=NC2=CC=C(O)C=3C=CC=CC23)=C1)C
inchi:
InChI=1/C17H13ClN2O4S.Na/c1-10-14(18)8-11(25(22,23)24)9-16(10)20-19-15-6-7-17(21)13-5-3-2-4-12(13)15;/h2-9,21H,1H3,(H,22,23,24);/q;+1/p-1


name: Sodium 4-[(4-hydroxynaphthyl)azo]naphthalenesulphonate
cas: 6409-10-5
dtxsid: DTXSID80884300
formula: C20H14N2O4S
inchikey: RTMDXOMALVABDU-UHFFFAOYSA-M
norman_susdat_id: NS00046951
pubchem_cid: 90116
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(O)C=3C=CC=CC23)C=4C=CC=CC41
inchi:
InChI=1/C20H14N2O4S.Na/c23-19-11-9-17(13-5-1-3-7-15(13)19)21-22-18-10-12-20(27(24,25)26)16-8-4-2-6-14(16)18;/h1-12,23H,(H,24,25,26);/q;+1/p-1


name: 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-
cas: 6409-21-8
chemspiderid: 72990
dtxsid: DTXSID6064323
formula: C12H11N1O8S2
inchikey: JLDYJXZCXHXBTL-UHFFFAOYSA-N
norman_susdat_id: NS00035637
pubchem_cid: 80849
smiles: CC(=O)Nc1ccc(c2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C12H11NO8S2/c1-6(14)13-9-2-3-11(23(19,20)21)8-4-7(22(16,17)18)5-10(15)12(8)9/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21)


cas: 6409-25-2
formula: C32H25N9O7S2
inchikey: SKCORUWBHQSGDM-UHFFFAOYSA-L
norman_susdat_id: NS00046234
pubchem_cid: 2751629
name:
Disodium 3-[[4-[(4-amino-7-sulphonatonaphthyl)azo]phenyl]azo]-6-[(2,4-diaminophenyl)azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C32H25N9O7S2.2Na/c33-18-2-11-29(27(35)14-18)40-38-21-3-1-17-13-30(50(46,47)48)31(32(42)24(17)15-21)41-37-20-6-4-19(5-7-20)36-39-28-12-10-26(34)23-9-8-22(16-25(23)28)49(43,44)45;;/h1-16,42H,33-35H2,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N)=CC=C(N=NC3=CC=C(N=NC=4C(O)=C5C=C(N=NC6=CC=C(N)C=C6N)C=CC5=CC4S(=O)(=O)[O-])C=C3)C2C1


cas: 6409-68-3
formula: C30H18N4O4
inchikey: UDZNMGNLRSZOOB-UHFFFAOYSA-N
norman_susdat_id: NS00046992
pubchem_cid: 111210
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(N)C(C=NN=CC4=CC=C5C(=O)C=6C=CC=CC6C(=O)C5=C4N)=CC=C13
name:
1-amino-9,10-dihydro-9,10-dioxoanthracene-2-carbaldehyde 2-[(1-amino-9,10-dihydro-9,10-dioxo-2-anthryl)methylene]hydrazone

inchi:
InChI=1/C30H18N4O4/c31-25-15(9-11-21-23(25)29(37)19-7-3-1-5-17(19)27(21)35)13-33-34-14-16-10-12-22-24(26(16)32)30(38)20-8-4-2-6-18(20)28(22)36/h1-14H,31-32H2


name: Benzamide, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-
cas: 6409-74-1
chemspiderid: 72992
dtxsid: DTXSID1064326
formula: C21H13N1O4
inchikey: JTXHDKYIXSLUNZ-UHFFFAOYSA-N
norman_susdat_id: NS00021292
pubchem_cid: 80851
smiles: Oc1ccc(NC(=O)c2ccccc2)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C21H13NO4/c23-16-11-10-15(22-21(26)12-6-2-1-3-7-12)17-18(16)20(25)14-9-5-4-8-13(14)19(17)24/h1-11,23H,(H,22,26)


name: Disodium 1-amino-2,4-dihydroxy-9,10-dihydro-9,10-dioxoanthracene-3-sulphonate
cas: 6409-77-4
formula: C14H9NO7S
inchikey: ODKLFPWMVIDUEI-UHFFFAOYSA-L
norman_susdat_id: NS00046235
pubchem_cid: 21115183
inchi:
InChI=1/2C14H9NO7S.2Na/c2*15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;;/h2*1-4,18-19H,15H2,(H,20,21,22);;/q;;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(O)=C(C(O)=C13)S(=O)(=O)[O-].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(O)=C(C(O)=C13)S(=O)(=O)[O-]


cas: 6409-83-2
formula: C45H32N10O13S4
inchikey: CRKUGZZYUKCLMC-UHFFFAOYSA-J
norman_susdat_id: NS00047510
pubchem_cid: 169010
name:
Tetrasodium 5,5'-[carbonylbis(imino-4,1-phenyleneazo)]bis[8-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate]

inchi:
InChI=1/C45H32N10O13S4.4Na/c56-45(46-27-1-5-29(6-2-27)48-52-41-21-23-43(39-25-35(71(63,64)65)17-19-37(39)41)54-50-31-9-13-33(14-10-31)69(57,58)59)47-28-3-7-30(8-4-28)49-53-42-22-24-44(40-26-36(72(66,67)68)18-20-38(40)42)55-51-32-11-15-34(16-12-32)70(60,61)62;;;;/h1-26H,(H2,46,47,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C=4C=C(C=CC24)S(=O)(=O)[O-])C=C1)NC5=CC=C(N=NC6=CC=C(N=NC7=CC=C(C=C7)S(=O)(=O)[O-])C=8C=C(C=CC68)S(=O)(=O)[O-])C=C5


cas: 6409-86-5
formula: C42H31N10O16S2
inchikey: IZOQBFQNGWEGKO-UHFFFAOYSA-J
norman_susdat_id: NS00046236
pubchem_cid: 25043517
name:
Tetrasodium 2-[[2-amino-6-[[4-[[4-[(3-carboxylato-4-hydroxyphenyl)azo]-7-sulphonato-1-naphthyl]azo]-2,5-dimethoxyphenyl]azo]-5-hydroxy-7-sulphonato-1-naphthyl]azo]-5-nitrobenzoate

inchi:
InChI=1/C42H30N10O16S2.4Na/c1-67-35-18-33(49-51-39-37(70(64,65)66)16-25-23(40(39)54)7-8-28(43)38(25)50-47-31-9-4-20(52(59)60)14-26(31)41(55)56)36(68-2)17-32(35)48-46-30-11-10-29(22-6-5-21(15-24(22)30)69(61,62)63)45-44-19-3-12-34(53)27(13-19)42(57)58;;;;/h3-18,53-54H,43H2,1-2H3,(H,55,56)(H,57,58)(H,61,62,63)(H,64,65,66);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(N=NC=3C=C(OC)C(N=NC=4C(O)=C5C=CC(N)=C(N=NC6=CC=C(C=C6C(=O)[O-])[N+](=O)[O-])C5=CC4S(=O)(=O)[O-])=CC3OC)C=7C=C(C=CC27)S(=O)(=O)[O-])=CC=C1O


cas: 6409-90-1
formula: C35H29N5O9S2
inchikey: ZCIARVSRFJOLLB-SEPHDYHBSA-L
norman_susdat_id: NS00046993
pubchem_cid: 433257
name:
Disodium 5-(4-aminobenzamido)-2-[2-[4-[4-(4-aminobenzamido)benzamido]-2-sulphonatophenyl]vinyl]benzenesulphonate

inchi:
InChI=1/C35H29N5O9S2.2Na/c36-26-11-3-23(4-12-26)33(41)38-28-15-9-25(10-16-28)35(43)40-30-18-8-22(32(20-30)51(47,48)49)2-1-21-7-17-29(19-31(21)50(44,45)46)39-34(42)24-5-13-27(37)14-6-24;;/h1-20H,36-37H2,(H,38,41)(H,39,42)(H,40,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=CC3=CC=C(C=C3S(=O)(=O)[O-])NC(=O)C4=CC=C(N)C=C4)C(=C2)S(=O)(=O)[O-])C5=CC=C(N)C=C5


name: (1-carboxyethyl) hydrogen 2-dodecenylsuccinate
cas: 64090-83-1
formula: C19H32O6
inchikey: CRBQWNPMHNTUGP-UHFFFAOYSA-M
norman_susdat_id: NS00053216
pubchem_cid: NA
smiles: O=C([O-])CC(C(=O)OC(C(=O)O)C)CC=CCCCCCCCCC
inchi:
InChI=1/C19H32O6/c1-3-4-5-6-7-8-9-10-11-12-13-16(14-17(20)21)19(24)25-15(2)18(22)23/h11-12,15-16H,3-10,13-14H2,1-2H3,(H,20,21)(H,22,23)/p-1


name: N-Benzylalbuterone
cas: 64092-10-0
chemspiderid: 134283
dtxsid: DTXSID40214280
formula: C20H25N1O3
inchikey: OCLIQASIQHOWRE-UHFFFAOYSA-N
norman_susdat_id: NS00004013
pubchem_cid: 152358
smiles: CC(C)(C)N(CC(=O)c1ccc(O)c(CO)c1)Cc1ccccc1
inchi:
InChI=1S/C20H25NO3/c1-20(2,3)21(12-15-7-5-4-6-8-15)13-19(24)16-9-10-18(23)17(11-16)14-22/h4-11,22-23H,12-14H2,1-3H3


name: Sodium 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate
cas: 64092-48-4
formula: C15H14ClNO3.Na
inchikey: SEEXPXUCHVGZGU-UHFFFAOYSA-M
norman_susdat_id: NS00086081
smiles: [Na+].Cc1cc(CC(=O)[O-])n(C)c1C(=O)c2ccc(Cl)cc2
inchi:
InChI=1/C15H14ClNO3.Na/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10;/h3-7H,8H2,1-2H3,(H,18,19);/q;+1/p-1


name: Zapizolam
cas: 64098-32-4
chemspiderid: 62065
dtxsid: DTXSID10214292
formula: C15H9Cl2N5
inchikey: FOWABKOXWTZAKY-UHFFFAOYSA-N
norman_susdat_id: NS00035640
pubchem_cid: 68832
smiles: Clc1nc2c(cc1)n1cnnc1CN=C2c1ccccc1Cl
inchi:
InChI=1S/C15H9Cl2N5/c16-10-4-2-1-3-9(10)14-15-11(5-6-12(17)20-15)22-8-19-21-13(22)7-18-14/h1-6,8H,7H2


name: Quisultazine
cas: 64099-44-1
formula: C21H25N3O2S2
inchikey: HTHHBTMNLHMBHQ-UHFFFAOYSA-N
norman_susdat_id: NS00053217
pubchem_cid: 68833
smiles: O=S(=O)(C1=CC=C2SC=3C=CC=CC3N(C2=C1)C4CN5CCC4CC5)N(C)C
inchi:
InChI=1/C21H25N3O2S2/c1-22(2)28(25,26)16-7-8-21-18(13-16)24(17-5-3-4-6-20(17)27-21)19-14-23-11-9-15(19)10-12-23/h3-8,13,15,19H,9-12,14H2,1-2H3


cas: 641-12-3
formula: C30H18O10
inchikey: JPMRHWLJLNKRTJ-UHFFFAOYSA-N
norman_susdat_id: NS00041749
pubchem_cid: 122839
smiles: O=C(O)C1=CC(O)=C2C(=O)C=3C(O)=CC=CC3C(C2=C1)C4C=5C=CC=C(O)C5C(=O)C6=C(O)C=C(C=C64)C(=O)O
name:
(R*,R*)-(+)-9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo[9,9'-bianthracene]-2,2'-dicarboxylic acid

inchi:
InChI=1/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)


name: Dibenzo[def,mno]chrysene-6,12-dione
cas: 641-13-4
dtxsid: DTXSID00214302
formula: C22H10O2
inchikey: PGEHNUUBUQTUJB-UHFFFAOYSA-N
norman_susdat_id: NS00042171
pubchem_cid: 94183
smiles: O=C1C2=CC=CC=3C=CC=4C(=O)C=5C=CC=C6C=CC1=C(C65)C4C32
inchi:
InChI=1/C22H10O2/c23-21-13-5-1-3-11-7-9-16-19(17(11)13)20-15(21)10-8-12-4-2-6-14(18(12)20)22(16)24/h1-10H


name: 21-Deoxycortisol
cas: 641-77-0
chebiid: CHEBI:28697
chemspiderid: 193458
formula: C21H30O4
inchikey: LCZBQMKVFQNSJR-UJPCIWJBSA-N
norman_susdat_id: NS00014778
pubchem_cid: 92827
smiles: O=C(C)C3(O)C2(CC(O)C4C1(/C(=CC(=O)CC1)CCC4C2CC3)C)C
inchi:
InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1


name: 3a,17-dihydroxy-5ß-pregnane-11,20-dione
cas: 641-78-1
chebiid: CHEBI:34354
formula: C21H32O4
inchikey: AYEXSTRNLGYBSQ-YOBHSKELSA-N
norman_susdat_id: NS00042172
pubchem_cid: 101817
smiles: O=C(C)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21C
inchi:
InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3


name: 17-alpha-Methyl-5-alpha-androstane-3-alpha,17-beta-diol
cas: 641-82-7
chemspiderid: 101609
formula: C20H34O2
inchikey: QGKQXZFZOIQFBI-UHFFFAOYSA-N
norman_susdat_id: NS00040896
pubchem_cid: 242493
smiles: CC1(O)CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
inchi:
InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3


name: 17-methyl-5a-androstane-3ß,17ß-diol
cas: 641-83-8
formula: C20H34O2
inchikey: QGKQXZFZOIQFBI-UYEYMFBJSA-N
norman_susdat_id: NS00079671
smiles: C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3


name: 5a-pregnane
cas: 641-85-0
chebiid: CHEBI:20656
formula: C21H36
inchikey: JWMFYGXQPXQEEM-GCOKGBOCSA-N
norman_susdat_id: NS00042173
pubchem_cid: 6857463
smiles: CCC1CCC2C3CCC4CCCCC4(C)C3CCC12C
inchi:
InChI=1/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3


name: 2-Naphthalenol, 1-[(4-chloro-2-nitrophenyl)azo]-
cas: 6410-13-5
chemspiderid: 7850360
dtxsid: DTXSID1064328
formula: C16H10Cl1N3O3
inchikey: FHEFMHNVEBIQDW-UHFFFAOYSA-N
norman_susdat_id: NS00021293
pubchem_cid: NA
smiles: [O-][N+](=O)c1c(N/N=C/2C(=O)C=Cc3ccccc23)ccc(Cl)c1
inchi:
InChI=1S/C16H10ClN3O3/c17-11-6-7-13(14(9-11)20(22)23)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,18H/b19-16-


name: 1-[(2-methoxy-3-methylphenyl)azo]-2-naphthol
cas: 6410-20-4
formula: C18H16N2O2
inchikey: VGUGDECVOLBDTH-UHFFFAOYSA-N
norman_susdat_id: NS00046953
pubchem_cid: 135801563
smiles: OC=1C=CC=2C=CC=CC2C1N=NC3=CC=CC(=C3OC)C
inchi:
InChI=1/C18H16N2O2/c1-12-6-5-9-15(18(12)22-2)19-20-17-14-8-4-3-7-13(14)10-11-16(17)21/h3-11,21H,1-2H3


name: 2-Naphthalenecarboxamide, 4-[(2-chlorophenyl)azo]-3-hydroxy-N-phenyl-
cas: 6410-26-0
dtxsid: DTXSID6064329
formula: C23H16ClN3O2
inchikey: XNANGTRPTFPPPE-UHFFFAOYSA-N
norman_susdat_id: NS00047512
pubchem_cid: 80854
smiles: O=C(NC=1C=CC=CC1)C2=CC=3C=CC=CC3C(N=NC=4C=CC=CC4Cl)=C2O
inchi:
InChI=1/C23H16ClN3O2/c24-19-12-6-7-13-20(19)26-27-21-17-11-5-4-8-15(17)14-18(22(21)28)23(29)25-16-9-2-1-3-10-16/h1-14,28H,(H,25,29)


name: 2-Naphthalenecarboxamide, 4-[(3-chlorophenyl)azo]-3-hydroxy-N-phenyl-
cas: 6410-27-1
dtxsid: DTXSID5064330
formula: C23H16ClN3O2
inchikey: MDODOQLFXACXDN-UHFFFAOYSA-N
norman_susdat_id: NS00047513
pubchem_cid: 80855
smiles: O=C(NC=1C=CC=CC1)C2=CC=3C=CC=CC3C(N=NC=4C=CC=C(Cl)C4)=C2O
inchi:
InChI=1/C23H16ClN3O2/c24-16-8-6-11-18(14-16)26-27-21-19-12-5-4-7-15(19)13-20(22(21)28)23(29)25-17-9-2-1-3-10-17/h1-14,28H,(H,25,29)


name: 2-Naphthalenecarboxamide, 3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-N-phenyl-
cas: 6410-29-3
chemspiderid: 7850362
dtxsid: DTXSID0064331
formula: C31H24N4O4
inchikey: JBJBSAHNMRBDSH-UHFFFAOYSA-N
norman_susdat_id: NS00020864
pubchem_cid: NA
smiles: COc1c(N/N=C/2C(=O)C(=Cc3ccccc23)C(=O)Nc2ccccc2)cc(cc1)C(=O)Nc1ccccc1
inchi:
InChI=1S/C31H24N4O4/c1-39-27-17-16-21(30(37)32-22-11-4-2-5-12-22)19-26(27)34-35-28-24-15-9-8-10-20(24)18-25(29(28)36)31(38)33-23-13-6-3-7-14-23/h2-19,34H,1H3,(H,32,37)(H,33,38)/b35-28-


name: 2-Naphthalenecarboxamide, N-(4-chlorophenyl)-3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-
cas: 6410-30-6
chemspiderid: 5006098
dtxsid: DTXSID5064332
formula: C24H17Cl1N4O4
inchikey: ITHKKUPWEBSLAJ-UHFFFAOYSA-N
norman_susdat_id: NS00020443
pubchem_cid: NA
smiles: Cc1c(N/N=C2/C(=O)C(=Cc3ccccc23)C(=O)Nc2ccc(Cl)cc2)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C24H17ClN4O4/c1-14-6-11-18(29(32)33)13-21(14)27-28-22-19-5-3-2-4-15(19)12-20(23(22)30)24(31)26-17-9-7-16(25)8-10-17/h2-13,27H,1H3,(H,26,31)/b28-22+


name: 2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methyl-4-nitrophenyl)azo]-N-(2-methylphenyl)-
cas: 6410-32-8
dtxsid: DTXSID0064333
formula: C25H21N4O4
inchikey: KDLDNQQRGJAGIS-UHFFFAOYSA-N
norman_susdat_id: NS00047536
pubchem_cid: 80857
smiles: O=C(NC=1C=CC=CC1C)C2=CC=3C=CC=CC3C(N=NC4=CC=C(C=C4C)[N+](=O)[O-])=C2O
inchi:
InChI=1/C25H20N4O4/c1-15-7-3-6-10-21(15)26-25(31)20-14-17-8-4-5-9-19(17)23(24(20)30)28-27-22-12-11-18(29(32)33)13-16(22)2/h3-14,30H,1-2H3,(H,26,31)


name: 2-quinolin-8-yloxy-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
cas: 6410-33-9
chemspiderid: 4404867
dtxsid: DTXSID00412144
formula: C25H20N4O5
inchikey: NODMZGQZWBEREY-UHFFFAOYSA-N
norman_susdat_id: NS00021295
pubchem_cid: 5235649
smiles: COc1c(ccc(c1)[N+](=O)[O-])N=Nc1c(O)c(cc2ccccc12)C(=O)Nc1c(C)cccc1
inchi:
InChI=1S/C25H20N4O5/c1-15-7-3-6-10-20(15)26-25(31)19-13-16-8-4-5-9-18(16)23(24(19)30)28-27-21-12-11-17(29(32)33)14-22(21)34-2/h3-14,30H,1-2H3,(H,26,31)/b28-27+


name: 2-Naphthalenecarboxamide, 4-[(2,5-dichlorophenyl)azo]-3-hydroxy-N-(4-methylphenyl)-
cas: 6410-35-1
dtxsid: DTXSID5064334
formula: C24H17Cl2N3O2
inchikey: KFOYYXXCGWLMAC-UHFFFAOYSA-N
norman_susdat_id: NS00046954
pubchem_cid: 80858
smiles: O=C(NC1=CC=C(C=C1)C)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=CC=C4Cl)=C2O
inchi:
InChI=1/C24H17Cl2N3O2/c1-14-6-9-17(10-7-14)27-24(31)19-12-15-4-2-3-5-18(15)22(23(19)30)29-28-21-13-16(25)8-11-20(21)26/h2-13,30H,1H3,(H,27,31)


name: 2-Naphthalenecarboxamide, 4-[(2,5-dichlorophenyl)azo]-3-hydroxy-N-(2-methoxyphenyl)-
cas: 6410-38-4
dtxsid: DTXSID0064335
formula: C24H17Cl2N3O3
inchikey: IBVDQFFVBKPVPB-UHFFFAOYSA-N
norman_susdat_id: NS00046972
pubchem_cid: 22920
smiles: O=C(NC=1C=CC=CC1OC)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=CC=C4Cl)=C2O
inchi:
InChI=1/C24H17Cl2N3O3/c1-32-21-9-5-4-8-19(21)27-24(31)17-12-14-6-2-3-7-16(14)22(23(17)30)29-28-20-13-15(25)10-11-18(20)26/h2-13,30H,1H3,(H,27,31)


name: 2-Naphthalenecarboxamide, 4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxy-N-(2-methoxyphenyl)-
cas: 6410-39-5
chemspiderid: 7850365
dtxsid: DTXSID5064336
formula: C24H17Cl1N4O5
inchikey: UEOKHCPTIWVVEV-UHFFFAOYSA-N
norman_susdat_id: NS00021298
pubchem_cid: NA
smiles: COc1ccccc1NC(=O)C1=Cc2ccccc2/C(=N/Nc2c(cc(Cl)cc2)[N+](=O)[O-])/C1=O
inchi:
InChI=1S/C24H17ClN4O5/c1-34-21-9-5-4-8-19(21)26-24(31)17-12-14-6-2-3-7-16(14)22(23(17)30)28-27-18-11-10-15(25)13-20(18)29(32)33/h2-13,27H,1H3,(H,26,31)/b28-22-


name: 4-[(2,5-dichlorophenyl)azo]-N-(2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
cas: 6410-40-8
dtxsid: DTXSID0064337
formula: C25H19Cl2N3O4
inchikey: CVRPSWGFUCJAFC-UHFFFAOYSA-N
norman_susdat_id: NS00047537
pubchem_cid: 80860
smiles: O=C(NC1=CC(OC)=CC=C1OC)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=CC=C4Cl)=C2O
inchi:
InChI=1/C25H19Cl2N3O4/c1-33-16-8-10-22(34-2)21(13-16)28-25(32)18-11-14-5-3-4-6-17(14)23(24(18)31)30-29-20-12-15(26)7-9-19(20)27/h3-13,31H,1-2H3,(H,28,32)


cas: 6410-41-9
dtxsid: DTXSID0050394
formula: C30H31ClN4O7S
inchikey: LMULDSDQRQVZMW-UHFFFAOYSA-N
norman_susdat_id: NS00046973
pubchem_cid: 82169
smiles: O=C(NC1=CC(Cl)=C(OC)C=C1OC)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4OC)S(=O)(=O)N(CC)CC)=C2O
name:
N-(5-chloro-2,4-dimethoxyphenyl)-4-[[5-[(diethylamino)sulphonyl]-2-methoxyphenyl]azo]-3-hydroxynaphthalene-2-carboxamide

inchi:
InChI=1/C30H31ClN4O7S/c1-6-35(7-2)43(38,39)19-12-13-25(40-3)24(15-19)33-34-28-20-11-9-8-10-18(20)14-21(29(28)36)30(37)32-23-16-22(31)26(41-4)17-27(23)42-5/h8-17,36H,6-7H2,1-5H3,(H,32,37)


cas: 6410-42-0
dtxsid: DTXSID90889523
formula: C41H28N6O15S4
inchikey: JGSBHDFOWGNTRS-UHFFFAOYSA-J
norman_susdat_id: NS00046257
pubchem_cid: NA
name:
Tetrasodium 5,5'-[carbonylbis[imino(1-hydroxy-3-sulphonatonaphthalene-2,6-diyl)azo]]bisnaphthalene-1-sulphonate

inchi:
InChI=1/C41H28N6O15S4.4Na/c48-39-25-15-13-23(44-46-31-9-1-7-29-27(31)5-3-11-33(29)63(51,52)53)17-21(25)19-35(65(57,58)59)37(39)42-41(50)43-38-36(66(60,61)62)20-22-18-24(14-16-26(22)40(38)49)45-47-32-10-2-8-30-28(32)6-4-12-34(30)64(54,55)56;;;;/h1-20,48-49H,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC=1C(O)=C2C=CC(N=NC3=CC=CC=4C3=CC=CC4S(=O)(=O)[O-])=CC2=CC1S(=O)(=O)[O-])NC=5C(O)=C6C=CC(N=NC7=CC=CC=8C7=CC=CC8S(=O)(=O)[O-])=CC6=CC5S(=O)(=O)[O-]


cas: 6410-47-5
dtxsid: DTXSID50889524
formula: C41H32N12O15S2
inchikey: JAURCFILSBFCDQ-UHFFFAOYSA-L
norman_susdat_id: NS00047538
pubchem_cid: NA
name:
Disodium 4,4'-[carbonylbis[imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo]]bis(3-hydroxy-7-nitronaphthalene-1-sulphonate)

inchi:
InChI=1/C41H30N12O15S2.2Na/c1-19-35(44-46-37-27-13-11-25(52(59)60)15-29(27)33(17-31(37)54)69(63,64)65)39(56)50(48-19)23-7-3-21(4-8-23)42-41(58)43-22-5-9-24(10-6-22)51-40(57)36(20(2)49-51)45-47-38-28-14-12-26(53(61)62)16-30(28)34(18-32(38)55)70(66,67)68;;/h3-18,35-36,54-55H,1-2H3,(H2,42,43,58)(H,63,64,65)(H,66,67,68);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C=C1)N2N=C(C)C(N=NC3=C(O)C=C(C4=CC(=CC=C34)[N+](=O)[O-])S(=O)(=O)[O-])C2=O)NC5=CC=C(C=C5)N6N=C(C)C(N=NC7=C(O)C=C(C8=CC(=CC=C78)[N+](=O)[O-])S(=O)(=O)[O-])C6=O


name: Tridodecylphosphine
cas: 6411-24-1
dtxsid: DTXSID5064338
formula: C36H75P
inchikey: GRAKJTASWCEOQI-UHFFFAOYSA-N
norman_susdat_id: NS00046258
pubchem_cid: 80863
smiles: P(CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/C36H75P/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3


name: Phenazinium, 3-(ethylamino)-2,8-dimethyl-7-(methylamino)-5-phenyl-, chloride
cas: 6411-47-8
chemspiderid: 23351894
formula: C23H26N4
inchikey: VCNJWWSUJVAKKI-UHFFFAOYSA-N
norman_susdat_id: NS00035642
pubchem_cid: 15549081
smiles: [Cl-].CCNC1=C(C)[CH+]c2nc3cc(C)c(NC)cc3n(c3ccccc3)c2=C1
inchi:
InChI=1S/C23H26N4/c1-5-25-19-14-23-21(12-16(19)3)26-20-11-15(2)18(24-4)13-22(20)27(23)17-9-7-6-8-10-17/h6-11,13-14,24-25H,5,12H2,1-4H3


name: 1-(2,5-disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
cas: 6411-56-9
dtxsid: DTXSID80214325
formula: C10H8N2O9S2
inchikey: ULKCUTGVHUHOEK-UHFFFAOYSA-N
norman_susdat_id: NS00047041
pubchem_cid: 80864
smiles: O=C(O)C1=NN(C(=O)C1)C2=CC(=CC=C2S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1/C10H8N2O9S2/c13-9-4-6(10(14)15)11-12(9)7-3-5(22(16,17)18)1-2-8(7)23(19,20)21/h1-3H,4H2,(H,14,15)(H,16,17,18)(H,19,20,21)


name: Sodium isobutyloctyl phosphate
cas: 64114-64-3
formula: C12H27O4P
inchikey: RCXXCYUTLKKTBA-UHFFFAOYSA-L
norman_susdat_id: NS00054122
pubchem_cid: 6365592
smiles: [Na+].O=P([O-])([O-])OC(CCCCCCC)CC(C)C
inchi:
InChI=1/C12H27O4P.Na/c1-4-5-6-7-8-9-12(10-11(2)3)16-17(13,14)15;/h11-12H,4-10H2,1-3H3,(H2,13,14,15);/q;+1/p-2


name: 4'-Hydroxydiclofenac
cas: 64118-84-9
chebiid: CHEBI:59613
chemspiderid: 104192
dtxsid: DTXSID40214326
formula: C14H11Cl2N1O3
inchikey: KGVXVPRLBMWZLG-UHFFFAOYSA-N
norman_susdat_id: NS00000631
pubchem_cid: 116545
smiles: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl
inchi:
InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)


name: Longistylin C
cas: 64125-60-6
chebiid: CHEBI:169155
formula: C20H22O2
inchikey: NFAWEPOBHKEHPO-ZHACJKMWSA-N
norman_susdat_id: NS00097170
smiles: CC(=CCC1=C(C=C(C=C1/C=C/C2=CC=CC=C2)O)OC)C
inchi:
InChI=1S/C20H22O2/c1-15(2)9-12-19-17(13-18(21)14-20(19)22-3)11-10-16-7-5-4-6-8-16/h4-11,13-14,21H,12H2,1-3H3/b11-10+


name: Methyl hydrogen 2-dodecenylsuccinate
cas: 64129-91-5
formula: C17H30O4
inchikey: ODEWOYUSIFGKRS-UHFFFAOYSA-M
norman_susdat_id: NS00053332
pubchem_cid: NA
smiles: O=C([O-])CC(C(=O)OC)CC=CCCCCCCCCC
inchi:
InChI=1/C17H30O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(14-16(18)19)17(20)21-2/h11-12,15H,3-10,13-14H2,1-2H3,(H,18,19)/p-1


name: Homoharringtonine
cas: 64131-12-0
chebiid: CHEBI:71019
chemspiderid: 251215
formula: C29H39NO9
inchikey: HYFHYPWGAURHIV-JFIAXGOJSA-N
norman_susdat_id: NS00067000
pubchem_cid: 285033
smiles: CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O
inchi:
InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1


name: 2,2-bis(hydroxymethyl)butyl myristate
cas: 64131-21-1
dtxsid: DTXSID80982638
formula: C20H40O4
inchikey: RGLSVLMKJGBTHW-UHFFFAOYSA-N
norman_susdat_id: NS00052811
pubchem_cid: 3017490
smiles: O=C(OCC(CO)(CO)CC)CCCCCCCCCCCCC
inchi:
InChI=1/C20H40O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19(23)24-18-20(4-2,16-21)17-22/h21-22H,3-18H2,1-2H3


name: 2,2-bis(hydroxymethyl)butyl palmitate
cas: 64131-22-2
dtxsid: DTXSID00886669
formula: C22H44O4
inchikey: ROXXKZWLQOWAJU-UHFFFAOYSA-N
norman_susdat_id: NS00053271
pubchem_cid: 116555
smiles: O=C(OCC(CO)(CO)CC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C22H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)26-20-22(4-2,18-23)19-24/h23-24H,3-20H2,1-2H3


name: 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester
cas: 64131-24-4
chemspiderid: 4942481
dtxsid: DTXSID2070057
formula: C24H44O4
inchikey: QYKUGKXUCSXQBX-UHFFFAOYSA-N
norman_susdat_id: NS00035646
pubchem_cid: 116556
smiles: CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(CC)(CO)CO
inchi:
InChI=1S/C24H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)28-22-24(4-2,20-25)21-26/h8-9,11-12,25-26H,3-7,10,13-22H2,1-2H3/b9-8+,12-11+


name: Phenol, 2,6-bis[(2-hydroxy-3,5-dinonylphenyl)methyl]-4-nonyl-
cas: 64131-28-8
chemspiderid: 151847
dtxsid: DTXSID7070058
formula: C65H108O3
inchikey: OQPIHNGDAXSXSZ-UHFFFAOYSA-N
norman_susdat_id: NS00035647
pubchem_cid: 174021
smiles: CCCCCCCCCc1cc(CCCCCCCCC)c(O)c(Cc2cc(CCCCCCCCC)cc(Cc3cc(CCCCCCCCC)cc(CCCCCCCCC)c3O)c2O)c1
inchi:
InChI=1S/C65H108O3/c1-6-11-16-21-26-31-36-41-54-46-57(44-39-34-29-24-19-14-9-4)63(66)59(48-54)52-61-50-56(43-38-33-28-23-18-13-8-3)51-62(65(61)68)53-60-49-55(42-37-32-27-22-17-12-7-2)47-58(64(60)67)45-40-35-30-25-20-15-10-5/h46-51,66-68H,6-45,52-53H2,1-5H3


name: 1-methyl 2-sulphooleate
cas: 64131-32-4
formula: C19H36O5S
inchikey: KFCIJTJJZAJPSW-KHPPLWFESA-N
norman_susdat_id: NS00053353
pubchem_cid: 6432905
smiles: O=C(OC)C(CCCCCCC=CCCCCCCCC)S(=O)(=O)O
inchi:
InChI=1/C19H36O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19(20)24-2)25(21,22)23/h10-11,18H,3-9,12-17H2,1-2H3,(H,21,22,23)


cas: 64131-39-1
formula: C24H44O4
norman_susdat_id: NS00101910
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[2-ethyl-2-[[[(9Z,12Z)-1-oxo-9,12-octadecadienyl]oxy]methyl]-1,3-propanediyl]bis[.omega.-hydroxy-


cas: 64131-40-4
formula: C24H46O4
norman_susdat_id: NS00101880
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[2-ethyl-2-[[[(9Z)-1-oxo-9-octadecenyl]oxy]methyl]-1,3-propanediyl]bis[.omega.-hydroxy-


cas: 64131-41-5
formula: C24H48O4
norman_susdat_id: NS00101849
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[2-ethyl-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl]bis[.omega.-hydroxy-


cas: 64131-43-7
formula: C22H44O4
norman_susdat_id: NS00101883
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[2-ethyl-2-[[(1-oxohexadecyl)oxy]methyl]-1,3-propanediyl]bis[.omega.-hydroxy-


name: O,O,O-Tris(4-nitrophenyl) thiophosphate
cas: 64131-85-7
chemspiderid: 91616
dtxsid: DTXSID40214341
formula: C18H12N3O9P1S1
inchikey: DMRUHNJUTAJPSU-UHFFFAOYSA-N
norman_susdat_id: NS00002966
pubchem_cid: 101389
smiles: [O-][N+](=O)c1ccc(OP(=S)(Oc2ccc(cc2)[N+]([O-])=O)Oc2ccc(cc2)[N+]([O-])=O)cc1
inchi:
InChI=1S/C18H12N3O9PS/c22-19(23)13-1-7-16(8-2-13)28-31(32,29-17-9-3-14(4-10-17)20(24)25)30-18-11-5-15(6-12-18)21(26)27/h1-12H


name: 1-amino-9,10-dihydro-4-[[4-[(methylamino)methyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonic acid
cas: 64135-01-9
dtxsid: DTXSID10982641
formula: C22H19N3O5S
inchikey: YCUWKANYCKONNX-UHFFFAOYSA-N
norman_susdat_id: NS00054123
pubchem_cid: 106054
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC=C(C=C4)CNC)=C13)S(=O)(=O)O
inchi:
InChI=1/C22H19N3O5S/c1-24-11-12-6-8-13(9-7-12)25-16-10-17(31(28,29)30)20(23)19-18(16)21(26)14-4-2-3-5-15(14)22(19)27/h2-10,24-25H,11,23H2,1H3,(H,28,29,30)


cas: 64137-48-0
formula: C23H18N4O6
inchikey: WSODZNOMMOAGJD-UHFFFAOYSA-N
norman_susdat_id: NS00053354
pubchem_cid: NA
smiles: O=C(O)C1=CC=C(C=C1)N2N=C(C(=CC3=C(O)N(N=C3C)C4=CC=C(C=C4)C(=O)O)C2=O)C
name:
4-[4-[[1-(4-carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazole-4-ylidene]methyl]-5-hydroxy-3-methyl-1H-pyrazole-1-yl]benzoic acid

inchi:
InChI=1/C23H18N4O6/c1-12-18(20(28)26(24-12)16-7-3-14(4-8-16)22(30)31)11-19-13(2)25-27(21(19)29)17-9-5-15(6-10-17)23(32)33/h3-11,28H,1-2H3,(H,30,31)(H,32,33)


cas: 64137-49-1
dtxsid: DTXSID70886671
formula: C27H22N4O6
inchikey: SITFCWYYKQIHEA-UHFFFAOYSA-N
norman_susdat_id: NS00053273
pubchem_cid: NA
smiles: O=C(O)C1=CC=C(C=C1)N2N=C(C(=CC=CC=CC3=C(O)N(N=C3C)C4=CC=C(C=C4)C(=O)O)C2=O)C
name:
4-[4-[5-[1-(4-carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazole-4-ylidene]-1,3-pentadienyl]-5-hydroxy-3-methyl-1H-pyrazole-1-yl]benzoic acid

inchi:
InChI=1/C27H22N4O6/c1-16-22(24(32)30(28-16)20-12-8-18(9-13-20)26(34)35)6-4-3-5-7-23-17(2)29-31(25(23)33)21-14-10-19(11-15-21)27(36)37/h3-15,32H,1-2H3,(H,34,35)(H,36,37)


cas: 6415-98-1
formula: C37H29N3O9S3.2Na
inchikey: MCPLVIGCWWTHFH-UHFFFAOYSA-K
norman_susdat_id: NS00081934
name:
Disodium 4-[[4-[bis[4-[(4-sulphonatophenyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulphonate

inchi:
InChI=1/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-3

smiles:
[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2ccc(cc2)C(=C3C=CC(=Nc4ccc(cc4)S(=O)(=O)[O-])C=C3)c5ccc(Nc6ccc(cc6)S(=O)(=O)[O-])cc5)cc1


name: 2,2'-((3,5-Bis(1,1-dimethylethyl)phenyl)imino)bisethanol
cas: 64153-50-0
chemspiderid: 4957104
dtxsid: DTXSID80214365
formula: C18H31N1O2
inchikey: HLDMOJRATBJDBV-UHFFFAOYSA-N
norman_susdat_id: NS00022613
pubchem_cid: 6454805
smiles: CC(C)(C)c1cc(cc(c1)N(CCO)CCO)C(C)(C)C
inchi:
InChI=1S/C18H31NO2/c1-17(2,3)14-11-15(18(4,5)6)13-16(12-14)19(7-9-20)8-10-21/h11-13,20-21H,7-10H2,1-6H3


cas: 64155-70-0
dtxsid: DTXSID2095312
norman_susdat_id: NS00109837
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, polymer with 1-chloro-1,2,2-trifluoroethene and 1,1,2,2-tetrafluoroethene


name: tetra (2,2 diallyoxymethyl)butyl, di(ditridecyl)phosphito titanate
cas: 64157-14-8
dtxsid: DTXSID50894219
formula: C100H194O18P2Ti
inchikey: JYCOPNVBJMMCCY-UHFFFAOYSA-P
norman_susdat_id: NS00113288
inchi:
InChI=1S/2C26H54O3P.4C12H21O3.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2;4*1-4-7-14-10-12(6-3,9-13)11-15-8-5-2;/h2*3-26H2,1-2H3;4*4-5H,1-2,6-11H2,3H3;/q6*-1;+10/p+2

smiles:
[H+].[H+].CCCCCCCCCCCCCOP(OCCCCCCCCCCCCC)O[Ti+4](OCC(CC)(COCC=C)COCC=C)(OCC(CC)(COCC=C)COCC=C)(OCC(CC)(COCC=C)COCC=C)(OCC(CC)(COCC=C)COCC=C)OP(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC


name: Nilotinib
cas: 641571-10-0
chebiid: CHEBI:52172
chemspiderid: 559260
dtxsid: DTXSID5042663
formula: C28H22F3N7O1
inchikey: HHZIURLSWUIHRB-UHFFFAOYSA-N
norman_susdat_id: NS00000665
pubchem_cid: 644241
smiles: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5
inchi:
InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)


cas: 6416-33-7
dtxsid: DTXSID20889430
formula: C24H17Cl2N3O9S2
inchikey: LMRUODWSEVNSID-UHFFFAOYSA-L
norman_susdat_id: NS00046305
pubchem_cid: 80869
name:
Disodium 4-[(2,4-dichlorobenzoyl)amino]-5-hydroxy-6-[(2-methoxyphenyl)azo]naphthalene-1,7-disulphonate

inchi:
InChI=1/C24H17Cl2N3O9S2.2Na/c1-38-18-5-3-2-4-16(18)28-29-22-20(40(35,36)37)11-14-19(39(32,33)34)9-8-17(21(14)23(22)30)27-24(31)13-7-6-12(25)10-15(13)26;;/h2-11,30H,1H3,(H,27,31)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C=2C=C(C(N=NC=3C=CC=CC3OC)=C(O)C12)S(=O)(=O)[O-])S(=O)(=O)[O-])C4=CC=C(Cl)C=C4Cl


name: 7-(dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride
cas: 6416-51-9
dtxsid: DTXSID30982668
formula: C16H15N2O5
inchikey: PVYJXJHWEZQWLA-UHFFFAOYSA-M
norman_susdat_id: NS00047610
pubchem_cid: NA
smiles: [Cl-].O=C(OC)C1=CC(O)=C(O)C2=[O+]C=3C=C(C=CC3N=C21)N(C)C
inchi:
InChI=1/C16H14N2O5.ClH/c1-18(2)8-4-5-10-12(6-8)23-15-13(17-10)9(16(21)22-3)7-11(19)14(15)20;/h4-7H,1-3H3,(H-,17,19,20,21);1H


name: 1,3-Benzenediamine, 4-[2-(1-naphthalenyl)diazenyl]-
cas: 6416-57-5
chemspiderid: 56367
dtxsid: DTXSID0064339
formula: C16H14N4
inchikey: AHWMWMNEYBHQNL-UHFFFAOYSA-N
norman_susdat_id: NS00021299
pubchem_cid: 62608
smiles: Nc1cc(N)c(cc1)N=Nc1c2ccccc2ccc1
inchi:
InChI=1S/C16H14N4/c17-12-8-9-16(14(18)10-12)20-19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,17-18H2/b20-19-


cas: 6416-66-6
chemspiderid: 21172455
dtxsid: DTXSID80889431
formula: C29H22Cl1N3O10S3
inchikey: XDBZPHDFHYZHNG-UHFFFAOYSA-L
norman_susdat_id: NS00019679
pubchem_cid: 101586678
name:
2,7-Naphthalenedisulfonic acid, 3-[2-(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, sodium salt (1:2)

inchi:
InChI=1S/C29H22ClN3O10S3/c1-17-7-10-21(11-8-17)44(35,36)33-24-16-22(45(37,38)39)13-18-14-26(46(40,41)42)28(29(34)27(18)24)32-31-23-15-19(30)9-12-25(23)43-20-5-3-2-4-6-20/h2-16,31,33H,1H3,(H,37,38,39)(H,40,41,42)/b32-28+

smiles:
[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Nc1cc(cc2c1C(=O)/C(=N/Nc1c(Oc3ccccc3)ccc(Cl)c1)/C(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: Disodium 5-[[2,4-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo]-2-(phenylamino)benzenesulphonate
cas: 6416-67-7
formula: C24H19N5O8S2
inchikey: KRSCOXHGZVUQFH-UHFFFAOYSA-L
norman_susdat_id: NS00047611
pubchem_cid: 101586655
inchi:
InChI=1/C24H19N5O8S2.2Na/c30-21-13-12-20(24(31)23(21)29-26-16-6-9-18(10-7-16)38(32,33)34)28-27-17-8-11-19(22(14-17)39(35,36)37)25-15-4-2-1-3-5-15;;/h1-14,25,30-31H,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C(O)=CC=C(N=NC3=CC=C(NC=4C=CC=CC4)C(=C3)S(=O)(=O)[O-])C2O)C=C1


name: Sodium 4-(2H-naphtho[1,2-d]triazol-2-yl)stilbene-2-sulphonate
cas: 6416-68-8
dtxsid: DTXSID4064341
formula: C24H17N3O3S
inchikey: PCNRQYHSJVEIGH-ASTDGNLGSA-M
norman_susdat_id: NS00047042
pubchem_cid: 41993
smiles: [Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC=2C=CC=CC2)N3N=C4C=CC5=CC=CC=C5C4=N3
inchi:
InChI=1/C24H17N3O3S.Na/c28-31(29,30)23-16-20(14-12-19(23)11-10-17-6-2-1-3-7-17)27-25-22-15-13-18-8-4-5-9-21(18)24(22)26-27;/h1-16H,(H,28,29,30);/q;+1/p-1


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,11,11,12,12,12-Docosafluoro-9-iodododecane
cas: 641617-25-6
dtxsid: DTXSID10895323
formula: C12H3F22I
inchikey: KWEXQPFKOSBNKY-UHFFFAOYSA-N
norman_susdat_id: NS00109328
smiles: FC(F)(F)C(F)(F)CC(I)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/C12H3F22I/c13-3(14,11(29,30)31)1-2(35)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)12(32,33)34/h2H,1H2


name: Benzoic acid, 2-[4-(1,1-dimethylpropyl)benzoyl]-
cas: 64164-99-4
chemspiderid: 104207
dtxsid: DTXSID2070059
formula: C19H20O3
inchikey: TWBTUJMPFAKNMV-UHFFFAOYSA-N
norman_susdat_id: NS00035648
pubchem_cid: 116561
smiles: CCC(C)(C)c1ccc(cc1)C(=O)c1c(cccc1)C(=O)O
inchi:
InChI=1S/C19H20O3/c1-4-19(2,3)14-11-9-13(10-12-14)17(20)15-7-5-6-8-16(15)18(21)22/h5-12H,4H2,1-3H3,(H,21,22)


name: 1-Naphthalenamine, 4-[[4-(1-naphthalenylazo)-1-naphthalenyl]azo]-
cas: 6417-19-2
chemspiderid: 72999
dtxsid: DTXSID9064342
formula: C30H21N5
inchikey: ZMDMAAJOOWVNAF-UHFFFAOYSA-N
norman_susdat_id: NS00021300
pubchem_cid: 80871
smiles: Nc1c2ccccc2c(cc1)N=Nc1c2ccccc2c(cc1)N=Nc1cccc2ccccc12
inchi:
InChI=1S/C30H21N5/c31-26-16-17-28(23-12-4-3-11-22(23)26)33-35-30-19-18-29(24-13-5-6-14-25(24)30)34-32-27-15-7-9-20-8-1-2-10-21(20)27/h1-19H,31H2/b34-32+,35-33-


cas: 6417-31-8
dtxsid: DTXSID40889432
formula: C33H26N6O12S4
inchikey: JWFOTJIXWCVMRP-UHFFFAOYSA-K
norman_susdat_id: NS00047612
pubchem_cid: NA
name:
Trisodium 2-[4-[[6-[[[[4-(acetamido)phenyl]amino]carbonyl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3-sulphonatophenyl]-6-methylbenzothiazole-7-sulphonate

inchi:
InChI=1/C33H26N6O12S4.3Na/c1-16-3-11-25-30(31(16)55(49,50)51)52-32(37-25)18-4-12-24(26(14-18)53(43,44)45)38-39-28-27(54(46,47)48)15-19-13-22(9-10-23(19)29(28)41)36-33(42)35-21-7-5-20(6-8-21)34-17(2)40;;;/h3-15,41H,1-2H3,(H,34,40)(H2,35,36,42)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(C=C1)NC(=O)C)NC=2C=CC=3C(C2)=CC(=C(N=NC4=CC=C(C=C4S(=O)(=O)[O-])C5=NC6=CC=C(C(=C6S5)S(=O)(=O)[O-])C)C3O)S(=O)(=O)[O-]


cas: 6417-36-3
formula: C36H28N4O9S2
inchikey: DDIPYLMBBZZKGQ-UHFFFAOYSA-L
norman_susdat_id: NS00047009
pubchem_cid: NA
name:
Disodium 4-(benzoylamino)-6-[[4-[(ethyl-1-naphthylamino)carbonyl]phenyl]azo]-5-hydroxynaphthalene-1,7-disulphonate

inchi:
InChI=1/C36H28N4O9S2.2Na/c1-2-40(29-14-8-12-22-9-6-7-13-26(22)29)36(43)24-15-17-25(18-16-24)38-39-33-31(51(47,48)49)21-27-30(50(44,45)46)20-19-28(32(27)34(33)41)37-35(42)23-10-4-3-5-11-23;;/h3-21,41H,2H2,1H3,(H,37,42)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C=2C=C(C(N=NC3=CC=C(C=C3)C(=O)N(C4=CC=CC=5C=CC=CC54)CC)=C(O)C12)S(=O)(=O)[O-])S(=O)(=O)[O-])C=6C=CC=CC6


cas: 6417-38-5
dtxsid: DTXSID20883498
formula: C43H23N3O7
inchikey: RBKKSNZUCBLXGH-UHFFFAOYSA-N
norman_susdat_id: NS00047613
pubchem_cid: NA
name:
N-[5-(benzoylamino)-9,10-dihydro-9,10-dioxoanthryl]-5,8,13,14-tetrahydro-5,8,14-trioxonaphth[2,3-c]acridine-10-carboxamide

inchi:
InChI=1/C43H23N3O7/c47-37-23-10-4-5-11-24(23)39(49)35-27(37)17-18-28-36(35)44-30-19-16-22(20-29(30)38(28)48)43(53)46-32-15-7-13-26-34(32)41(51)25-12-6-14-31(33(25)40(26)50)45-42(52)21-8-2-1-3-9-21/h1-20H,(H,44,48)(H,45,52)(H,46,53)

smiles:
O=C(NC1=CC=CC=2C(=O)C=3C(=CC=CC3C(=O)C12)NC(=O)C4=CC=C5NC=6C(=CC=C7C(=O)C=8C=CC=CC8C(=O)C76)C(=O)C5=C4)C=9C=CC=CC9


name: Bis(2-hydroxyethyl)ammonium 2,4,5-trichlorophenoxyacetate
cas: 6417-43-2
formula: C8H5Cl3O3.C4H11NO2
inchikey: QKBDWMJBSCEOOL-UHFFFAOYSA-N
norman_susdat_id: NS00081936
smiles: OCC[NH2+]CCO.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl
inchi:
InChI=1/C8H5Cl3O3.C4H11NO2/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13;6-3-1-5-2-4-7/h1-2H,3H2,(H,12,13);5-7H,1-4H2


cas: 6417-46-5
dtxsid: DTXSID9064344
formula: C40H35N3O3S
inchikey: IIXWWFPZFCVALL-UHFFFAOYSA-N
norman_susdat_id: NS00047614
pubchem_cid: 135765470
smiles: O=S(=O)(O)C1=CC=C(C=C1C)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC=CC(=C4)C)C=C3)C5=CC=C(C=C5)NC6=CC=CC(=C6)C
name:
2-methyl-4-[[4-[[4-[(3-tolyl)amino]phenyl][4-[(3-tolylimino]-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]benzenesulphonic acid

inchi:
InChI=1/C40H35N3O3S/c1-27-6-4-8-36(24-27)41-33-16-10-30(11-17-33)40(31-12-18-34(19-13-31)42-37-9-5-7-28(2)25-37)32-14-20-35(21-15-32)43-38-22-23-39(29(3)26-38)47(44,45)46/h4-26,41,43H,1-3H3,(H,44,45,46)


name: 1,4-Benzenedicarboxamide, N,N'-bis[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]-
cas: 6417-50-1
chemspiderid: 17286473
dtxsid: DTXSID4064345
formula: C50H30N4O8
inchikey: KGZMABLDPNAGFQ-UHFFFAOYSA-N
norman_susdat_id: NS00021301
pubchem_cid: 16129663
inchi:
InChI=1S/C50H30N4O8/c55-43-33-17-9-21-37(41(33)45(57)31-15-7-19-35(39(31)43)51-47(59)27-11-3-1-4-12-27)53-49(61)29-23-25-30(26-24-29)50(62)54-38-22-10-18-34-42(38)46(58)32-16-8-20-36(40(32)44(34)56)52-48(60)28-13-5-2-6-14-28/h1-26H,(H,51,59)(H,52,60)(H,53,61)(H,54,62)

smiles:
O=C(Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccc(cc3)C(=O)Nc3cccc4c3C(=O)c3cccc(NC(=O)c5ccccc5)c3C4=O)c1C2=O)c1ccccc1


name: Diindolo[3,2,1-de:3',2',1'-ij][1,5]naphthyridine-6,13-dione, 7,14-diphenyl-
cas: 6417-51-2
chemspiderid: 73003
dtxsid: DTXSID9064346
formula: C32H18N2O2
inchikey: GUBZLBFYUBKAGY-UHFFFAOYSA-N
norman_susdat_id: NS00021302
pubchem_cid: 80875
smiles: O=c1n2c3c(cccc3)c3c(c(=O)n4c5c(cccc5)c(c4c23)c1c1ccccc1)c1ccccc1
inchi:
InChI=1S/C32H18N2O2/c35-31-25(19-11-3-1-4-12-19)27-21-15-7-9-17-23(21)34-29(27)30-28(22-16-8-10-18-24(22)33(30)31)26(32(34)36)20-13-5-2-6-14-20/h1-18H


name: C.I. Pigment Red 63, calcium salt (1:1)
cas: 6417-83-0
chemspiderid: 4589574
dtxsid: DTXSID4064347
formula: C21H14N2O6S1
inchikey: BKJRFNVXONDFHH-NKFKGCMQSA-N
norman_susdat_id: NS00013479
pubchem_cid: 5487917
smiles: [Ca++].[O-]C(=O)C1=Cc2ccccc2/C(=N/Nc3ccc4ccccc4c3[S]([O-])(=O)=O)C1=O
inchi:
InChI=1S/C21H14N2O6S.Ca/c24-19-16(21(25)26)11-13-6-2-3-7-14(13)18(19)23-22-17-10-9-12-5-1-4-8-15(12)20(17)30(27,28)29;/h1-11,22H,(H,25,26)(H,27,28,29);/q;+2/p-2/b23-18-;


name: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-, dipotassium salt
cas: 6417-85-2
dtxsid: DTXSID9064348
formula: C20H10K2O5
inchikey: DZSPMLRDMGJVAT-UHFFFAOYSA-L
norman_susdat_id: NS00076469
smiles: [K+].[K+].[O-]C1=CC2=C(C=C1)C1(OC(=O)C3=CC=CC=C13)C1=CC=C([O-])C=C1O2
inchi:
InChI=1S/C20H12O5.2K/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;;/h1-10,21-22H;;/q;2*+1/p-2


name: 2-Naphthalenamine, N-(1-methylethyl)-1-[[4-(phenylazo)phenyl]azo]-
cas: 64181-63-1
chemspiderid: 104210
dtxsid: DTXSID6070063
formula: C25H23N5
inchikey: DTDOOPQNZJCJKT-UHFFFAOYSA-N
norman_susdat_id: NS00035650
pubchem_cid: 116564
smiles: CC(C)Nc1c(N=Nc2ccc(cc2)N=Nc2ccccc2)c2c(cccc2)cc1
inchi:
InChI=1S/C25H23N5/c1-18(2)26-24-17-12-19-8-6-7-11-23(19)25(24)30-29-22-15-13-21(14-16-22)28-27-20-9-4-3-5-10-20/h3-18,26H,1-2H3/b28-27+,30-29+


cas: 64181-81-3
formula: C26H20ClN7O11S3.3Na
inchikey: PPODANAVFFOJFF-UHFFFAOYSA-K
norman_susdat_id: NS00086411
name:
Trisodium 7-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C26H20ClN7O11S3.3Na/c1-45-16-6-8-19(20(12-16)47(39,40)41)33-34-22-21(48(42,43)44)10-13-9-15(5-7-18(13)23(22)35)29-26-31-24(27)30-25(32-26)28-14-3-2-4-17(11-14)46(36,37)38;;;/h2-12,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].Clc5nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(Nc4cccc(c4)S([O-])(=O)=O)n5


name: Aminotrimethylene phosphonic acid
cas: 6419-19-8
chebiid: CHEBI:168957
chemspiderid: 15833
dtxsid: DTXSID2027624
formula: C3H12N1O9P3
inchikey: YDONNITUKPKTIG-UHFFFAOYSA-N
norman_susdat_id: NS00007905
pubchem_cid: 16698
smiles: OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O
inchi:
InChI=1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)


name: U-51605
cas: 64192-56-9
formula: C20H32N2O2
inchikey: SRIZDZJPKIYUPZ-IDUFWMFESA-N
norman_susdat_id: NS00072617
smiles: CCCCCC/C=C/[C@H]1[C@H]2C[C@H](N=N2)[C@@H]1C/C=CCCCC(=O)O
inchi:
InChI=1S/C20H32N2O2/c1-2-3-4-5-6-9-12-16-17(19-15-18(16)21-22-19)13-10-7-8-11-14-20(23)24/h7,9-10,12,16-19H,2-6,8,11,13-15H2,1H3,(H,23,24)/b10-7-,12-9+/t16-,17-,18-,19+/m1/s1


name: Antimycin A1
cas: 642-15-9
chebiid: CHEBI:2762
chemspiderid: 14246
dtxsid: DTXSID3058668
formula: C28H40N2O9
inchikey: UIFFUZWRFRDZJC-SBOOETFBSA-N
norman_susdat_id: NS00011650
pubchem_cid: 14957
smiles: CCCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O
inchi:
InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1


name: 3-hydroxy-4-[(4-sulphonaphthyl)azo]naphthalene-2,7-disulphonic acid
cas: 642-59-1
formula: C20H14N2O10S3
inchikey: IRPXADUBAQAOKL-UHFFFAOYSA-N
norman_susdat_id: NS00079914
smiles: OS(=O)(=O)c4ccc(N=Nc1c2ccc(cc2cc(c1O)S(O)(=O)=O)S(O)(=O)=O)c3ccccc34
inchi:
InChI=1/C20H14N2O10S3/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/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)


name: Benzydamine
cas: 642-72-8
chebiid: CHEBI:94563
chemspiderid: 12036
dtxsid: DTXSID7047859
formula: C19H23N3O1
inchikey: CNBGNNVCVSKAQZ-UHFFFAOYSA-N
norman_susdat_id: NS00009149
pubchem_cid: 12555
smiles: CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12
inchi:
InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3


name: Bis(3,4,5-trimethoxyphenethylammonium) sulphate
cas: 642-73-9
formula: C11H17NO3.1/2H2O4S
inchikey: FXAXLGPRODRRHB-UHFFFAOYSA-N
norman_susdat_id: NS00079657
smiles: COc1cc(CC[NH3+])cc(OC)c1OC.COc2cc(CC[NH3+])cc(OC)c2OC.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C11H17NO3.H2O4S/c2*1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3;1-5(2,3)4/h2*6-7H,4-5,12H2,1-3H3;(H2,1,2,3,4)


cas: 6420-03-7
formula: C31H26N6O7S
inchikey: PNPXOULPRKFFQJ-UHFFFAOYSA-L
norman_susdat_id: NS00047030
pubchem_cid: 73437
name:
Disodium 5-[[4'-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C31H26N6O7S.2Na/c1-17-14-20(4-11-26(17)33-32-22-6-13-28(38)25(16-22)31(40)41)21-5-12-27(18(2)15-21)34-35-29-19(3)36-37(30(29)39)23-7-9-24(10-8-23)45(42,43)44;;/h4-16,29,38H,1-3H3,(H,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2C)C3=CC=C(N=NC4C(=O)N(N=C4C)C5=CC=C(C=C5)S(=O)(=O)[O-])C(=C3)C)=CC=C1O


cas: 6420-04-8
dtxsid: DTXSID40889533
formula: C32H28N6O7S
inchikey: MZXMXFDRJVJSAB-UHFFFAOYSA-L
norman_susdat_id: NS00046619
pubchem_cid: 165472
name:
Disodium 5-[[4'-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-3-methylsalicylate

inchi:
InChI=1/C32H28N6O7S.2Na/c1-17-13-21(5-11-27(17)34-33-23-15-19(3)30(39)26(16-23)32(41)42)22-6-12-28(18(2)14-22)35-36-29-20(4)37-38(31(29)40)24-7-9-25(10-8-24)46(43,44)45;;/h5-16,29,39H,1-4H3,(H,41,42)(H,43,44,45);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2C)C3=CC=C(N=NC4C(=O)N(N=C4C)C5=CC=C(C=C5)S(=O)(=O)[O-])C(=C3)C)=CC(=C1O)C


cas: 6420-09-3
formula: C34H27N5O11S3
inchikey: YLDQHFZDOYJEKB-UHFFFAOYSA-K
norman_susdat_id: NS00046565
pubchem_cid: 165474
name:
Trisodium 5-amino-4-hydroxy-3-[[4'-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H27N5O11S3.3Na/c1-17-11-19(7-9-26(17)36-38-28-16-29(52(45,46)47)23-5-3-4-6-24(23)33(28)40)20-8-10-27(18(2)12-20)37-39-32-30(53(48,49)50)14-21-13-22(51(42,43)44)15-25(35)31(21)34(32)41;;;/h3-16,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(N)C=2C(C1)=CC(=C(N=NC3=CC=C(C=C3C)C4=CC=C(N=NC=5C=C(C=6C=CC=CC6C5O)S(=O)(=O)[O-])C(=C4)C)C2O)S(=O)(=O)[O-]


cas: 6420-22-0
dtxsid: DTXSID00889534
formula: C34H28N6O11S3
inchikey: GOTIAHMNOFMRFT-UHFFFAOYSA-K
norman_susdat_id: NS00047139
pubchem_cid: NA
name:
Trisodium 5-amino-3-[[4'-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C34H28N6O11S3.3Na/c1-16-9-18(3-7-26(16)37-39-31-28(53(46,47)48)13-20-11-22(35)5-6-24(20)33(31)41)19-4-8-27(17(2)10-19)38-40-32-29(54(49,50)51)14-21-12-23(52(43,44)45)15-25(36)30(21)34(32)42;;;/h3-15,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(N)C=2C(C1)=CC(=C(N=NC3=CC=C(C=C3C)C4=CC=C(N=NC=5C(O)=C6C=CC(N)=CC6=CC5S(=O)(=O)[O-])C(=C4)C)C2O)S(=O)(=O)[O-]


cas: 6420-28-6
dtxsid: DTXSID60889535
formula: C43H34N8O15S2
inchikey: ZNVVYQUTMUNBTP-UHFFFAOYSA-J
norman_susdat_id: NS00045846
pubchem_cid: NA
name:
Tetrasodium 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo-4,1-phenylenecarbonylimino]]bis[5-sulphonatosalicylate]

inchi:
InChI=1/C43H34N8O15S2.4Na/c1-21-15-27(11-13-33(21)50-48-25-7-3-23(4-8-25)39(54)46-35-19-29(67(61,62)63)17-31(37(35)52)41(56)57)44-43(60)45-28-12-14-34(22(2)16-28)51-49-26-9-5-24(6-10-26)40(55)47-36-20-30(68(64,65)66)18-32(38(36)53)42(58)59;;;;/h3-20,52-53H,1-2H3,(H,46,54)(H,47,55)(H,56,57)(H,58,59)(H2,44,45,60)(H,61,62,63)(H,64,65,66);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C=1C=C(C=C(NC(=O)C2=CC=C(N=NC3=CC=C(C=C3C)NC(=O)NC4=CC=C(N=NC5=CC=C(C=C5)C(=O)NC6=CC(=CC(C(=O)[O-])=C6O)S(=O)(=O)[O-])C(=C4)C)C=C2)C1O)S(=O)(=O)[O-]


name: Tetrasodium 3,3'-[carbonylbis[imino(2,5-dimethyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonate
cas: 6420-29-7
dtxsid: DTXSID20889536
formula: C37H32N6O13S4
inchikey: QXBDBNJRAAKDCK-UHFFFAOYSA-J
norman_susdat_id: NS00046620
pubchem_cid: 165475
inchi:
InChI=1/C37H32N6O13S4.4Na/c1-19-13-31(42-40-23-15-27-25(35(17-23)59(51,52)53)7-5-9-33(27)57(45,46)47)21(3)11-29(19)38-37(44)39-30-12-22(4)32(14-20(30)2)43-41-24-16-28-26(36(18-24)60(54,55)56)8-6-10-34(28)58(48,49)50;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC(=C(N=NC=2C=C3C(C=CC=C3S(=O)(=O)[O-])=C(C2)S(=O)(=O)[O-])C=C1C)C)NC4=CC(=C(N=NC=5C=C6C(C=CC=C6S(=O)(=O)[O-])=C(C5)S(=O)(=O)[O-])C=C4C)C


name: Disodium 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]dibenzoate
cas: 6420-30-0
formula: C29H24N6O7
inchikey: RKXJNLBMNQMUQO-UHFFFAOYSA-L
norman_susdat_id: NS00046566
pubchem_cid: NA
inchi:
InChI=1/C29H24N6O7.2Na/c1-41-25-15-21(34-32-19-7-3-5-17(13-19)27(36)37)9-11-23(25)30-29(40)31-24-12-10-22(16-26(24)42-2)35-33-20-8-4-6-18(14-20)28(38)39;;/h3-16H,1-2H3,(H,36,37)(H,38,39)(H2,30,31,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C=1C=CC=C(N=NC2=CC=C(NC(=O)NC3=CC=C(N=NC4=CC=CC(=C4)C(=O)[O-])C=C3OC)C(OC)=C2)C1


cas: 6420-32-2
formula: C37H32N6O15S4
inchikey: KHPLYADBVQXNKX-UHFFFAOYSA-J
norman_susdat_id: NS00045847
pubchem_cid: NA
name:
Tetrasodium 4,4'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-2,6-disulphonate)

inchi:
InChI=1/C37H32N6O15S4.4Na/c1-19-9-33(35(57-3)17-29(19)40-42-31-15-25(61(51,52)53)11-21-5-7-23(13-27(21)31)59(45,46)47)38-37(44)39-34-10-20(2)30(18-36(34)58-4)41-43-32-16-26(62(54,55)56)12-22-6-8-24(14-28(22)32)60(48,49)50;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC(=C(N=NC=2C=C(C=C3C=CC(=CC23)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1OC)C)NC4=CC(=C(N=NC=5C=C(C=C6C=CC(=CC56)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C4OC)C


cas: 6420-33-3
formula: C37H32N6O15S4.4Na
inchikey: JQRFOMXXFJIGMQ-UHFFFAOYSA-J
norman_susdat_id: NS00082431
name:
Tetrasodium 3,3'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-1,5-disulphonate)

inchi:
InChI=1/C37H32N6O15S4.4Na/c1-19-11-29(31(57-3)17-27(19)42-40-21-13-25-23(35(15-21)61(51,52)53)7-5-9-33(25)59(45,46)47)38-37(44)39-30-12-20(2)28(18-32(30)58-4)43-41-22-14-26-24(36(16-22)62(54,55)56)8-6-10-34(26)60(48,49)50;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc3c(cccc3c(c4)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC


name: Disodium 7,7'-iminobis[3-[(2,4-dimethylphenyl)azo]-4-hydroxynaphthalene-2-sulphonate]
cas: 6420-38-8
dtxsid: DTXSID40889538
formula: C36H31N5O8S2
inchikey: RCTVEBBEUVRZRT-UHFFFAOYSA-L
norman_susdat_id: NS00045848
pubchem_cid: NA
inchi:
InChI=1/C36H31N5O8S2.2Na/c1-19-5-11-29(21(3)13-19)38-40-33-31(50(44,45)46)17-23-15-25(7-9-27(23)35(33)42)37-26-8-10-28-24(16-26)18-32(51(47,48)49)34(36(28)43)41-39-30-12-6-20(2)14-22(30)4;;/h5-18,37,42-43H,1-4H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=C2C=C(C=CC2=C(O)C1N=NC3=CC=C(C=C3C)C)NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=C(C=C6C)C)C5O)S(=O)(=O)[O-]


name: Disodium 7,7'-iminobis[3-[(3-aminophenyl)azo]-4-hydroxynaphthalene-2-sulphonate]
cas: 6420-39-9
dtxsid: DTXSID00889539
formula: C32H25N7O8S2
inchikey: WOGRZDRPXGONFR-UHFFFAOYSA-L
norman_susdat_id: NS00046633
pubchem_cid: 165478
inchi:
InChI=1/C32H25N7O8S2.2Na/c33-19-3-1-5-23(15-19)36-38-29-27(48(42,43)44)13-17-11-21(7-9-25(17)31(29)40)35-22-8-10-26-18(12-22)14-28(49(45,46)47)30(32(26)41)39-37-24-6-2-4-20(34)16-24;;/h1-16,35,40-41H,33-34H2,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=C2C=C(C=CC2=C(O)C1N=NC3=CC=CC(N)=C3)NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=CC(N)=C6)C5O)S(=O)(=O)[O-]


cas: 6420-40-2
dtxsid: DTXSID10889540
formula: C34H24N6O11S2
inchikey: PEOPCYPUNAFTEZ-UHFFFAOYSA-K
norman_susdat_id: NS00046567
pubchem_cid: 80884
name:
Trisodium 3-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate

inchi:
InChI=1/C34H24N6O11S2.3Na/c41-31-25-11-9-22(14-19(25)16-27(52(46,47)48)29(31)39-37-21-6-2-1-3-7-21)35-34(45)36-23-10-12-26-20(15-23)17-28(53(49,50)51)30(32(26)42)40-38-24-8-4-5-18(13-24)33(43)44;;;/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C=1C=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC(=O)NC=4C=CC=5C(C4)=CC(=C(N=NC=6C=CC=CC6)C5O)S(=O)(=O)[O-])C1


cas: 6420-41-3
dtxsid: DTXSID70889541
formula: C37H26N6O12S3
inchikey: YEMIQCHVWHFHBC-UHFFFAOYSA-K
norman_susdat_id: NS00047140
pubchem_cid: 414956
name:
Trisodium 4-hydroxy-7-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-[(6-sulphonato-2-naphthyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C37H26N6O12S3.3Na/c44-35-29-12-9-25(15-22(29)18-31(57(50,51)52)33(35)42-40-24-4-2-1-3-5-24)38-37(46)39-26-10-13-30-23(16-26)19-32(58(53,54)55)34(36(30)45)43-41-27-8-6-21-17-28(56(47,48)49)11-7-20(21)14-27;;;/h1-19,44-45H,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3)C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC=6C=CC7=CC(=CC=C7C6)S(=O)(=O)[O-])C5O)S(=O)(=O)[O-]


cas: 6420-43-5
dtxsid: DTXSID30889542
formula: C35H28N6O12S3
inchikey: ODVNNUKJIZCZPJ-UHFFFAOYSA-K
norman_susdat_id: NS00047141
pubchem_cid: 135853488
name:
Trisodium 4-hydroxy-7-[[[[5-hydroxy-7-sulphonato-6-[(o-tolyl)azo]-2-naphthyl]amino]carbonyl]amino]-3-[(2-methyl-4-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C35H28N6O12S3.3Na/c1-18-5-3-4-6-27(18)38-40-31-29(55(48,49)50)16-20-14-22(7-10-25(20)33(31)42)36-35(44)37-23-8-11-26-21(15-23)17-30(56(51,52)53)32(34(26)43)41-39-28-12-9-24(13-19(28)2)54(45,46)47;;;/h3-17,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3C)C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=C(C=C6C)S(=O)(=O)[O-])C5O)S(=O)(=O)[O-]


cas: 6420-44-6
dtxsid: DTXSID90889543
formula: C35H28N6O13S3
inchikey: MSBHLDQWHHNCML-UHFFFAOYSA-K
norman_susdat_id: NS00045849
pubchem_cid: 22928
name:
Trisodium 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxyphenyl)azo]-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-[(2-methyl-4-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C35H28N6O13S3.3Na/c1-18-13-23(55(45,46)47)9-12-26(18)38-40-31-29(56(48,49)50)16-19-14-21(7-10-24(19)33(31)42)36-35(44)37-22-8-11-25-20(15-22)17-30(57(51,52)53)32(34(25)43)41-39-27-5-3-4-6-28(27)54-2;;;/h3-17,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3OC)C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=C(C=C6C)S(=O)(=O)[O-])C5O)S(=O)(=O)[O-]


name: Disodium 7,7'-(carbonyldiimino)bis[3-[(3-aminophenyl)azo]-4-hydroxynaphthalene-2-sulphonate]
cas: 6420-46-8
dtxsid: DTXSID50889544
formula: C33H26N8O9S2
inchikey: UMAIIVFLTQPNJF-UHFFFAOYSA-L
norman_susdat_id: NS00045850
pubchem_cid: 80888
inchi:
InChI=1/C33H26N8O9S2.2Na/c34-19-3-1-5-23(15-19)38-40-29-27(51(45,46)47)13-17-11-21(7-9-25(17)31(29)42)36-33(44)37-22-8-10-26-18(12-22)14-28(52(48,49)50)30(32(26)43)41-39-24-6-2-4-20(35)16-24;;/h1-16,42-43H,34-35H2,(H2,36,37,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=CC(N)=C3)C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=CC(N)=C6)C5O)S(=O)(=O)[O-]


name: 2-sec-butyl-4,6-dinitrophenol, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 6420-47-9
formula: C10H12N2O5.C6H15NO3
inchikey: YRKPPLCJMDGOOY-UHFFFAOYSA-N
norman_susdat_id: NS00081727
smiles: CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-].OCCN(CCO)CCO
inchi:
InChI=1/C10H12N2O5.C6H15NO3/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;8-4-1-7(2-5-9)3-6-10/h4-6,13H,3H2,1-2H3;8-10H,1-6H2


cas: 64202-77-3
dtxsid: DTXSID40880545
norman_susdat_id: NS00110253
name:
1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, monoamide with N,N'-bis(2-aminoethyl)-1,2-ethanediamine


name: Diethyl 4,4'-azoxybisbenzoate
cas: 6421-04-1
dtxsid: DTXSID20884309
formula: C18H18N2O5
inchikey: LOOVRYZFUGHEMF-UHFFFAOYSA-N
norman_susdat_id: NS00045851
pubchem_cid: 80889
smiles: O=C(OCC)C1=CC=C(N=N(=O)C2=CC=C(C=C2)C(=O)OCC)C=C1
inchi:
InChI=1/C18H18N2O5/c1-3-24-17(21)13-5-9-15(10-6-13)19-20(23)16-11-7-14(8-12-16)18(22)25-4-2/h5-12H,3-4H2,1-2H3


name: 2-Propenoic acid, 3-[4-[[(4-methoxyphenyl)methylene]amino]phenyl]-, ethyl ester
cas: 6421-30-3
chemspiderid: 99810
dtxsid: DTXSID4064349
formula: C19H19N1O3
inchikey: FMNNRRPDXZWUAE-UHFFFAOYSA-N
norman_susdat_id: NS00035654
pubchem_cid: 111216
smiles: CCOC(=O)/C=C/c1ccc(cc1)N=Cc1ccc(OC)cc1
inchi:
InChI=1S/C19H19NO3/c1-3-23-19(21)13-8-15-4-9-17(10-5-15)20-14-16-6-11-18(22-2)12-7-16/h4-14H,3H2,1-2H3/b13-8+,20-14+


name: 4-((4-((4-Hydroxyphenyl)amino)phenyl)amino)benzenesulphonic acid
cas: 6421-80-3
chemspiderid: 73008
dtxsid: DTXSID00214423
formula: C18H16N2O4S1
inchikey: SLPOAOGIPUBKLV-UHFFFAOYSA-N
norman_susdat_id: NS00035655
pubchem_cid: 80890
smiles: Oc1ccc(Nc2ccc(Nc3ccc(cc3)S(=O)(=O)O)cc2)cc1
inchi:
InChI=1S/C18H16N2O4S/c21-17-9-5-15(6-10-17)19-13-1-3-14(4-2-13)20-16-7-11-18(12-8-16)25(22,23)24/h1-12,19-21H,(H,22,23,24)


name: 5-[(2-amino-4-sulphophenyl)sulphonyl]salicylic acid
cas: 6421-84-7
dtxsid: DTXSID60214424
formula: C13H11NO8S2
inchikey: WAGGRALYROLUGE-UHFFFAOYSA-N
norman_susdat_id: NS00047157
pubchem_cid: 80891
smiles: O=C(O)C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2N)S(=O)(=O)O
inchi:
InChI=1/C13H11NO8S2/c14-10-6-8(24(20,21)22)2-4-12(10)23(18,19)7-1-3-11(15)9(5-7)13(16)17/h1-6,15H,14H2,(H,16,17)(H,20,21,22)


name: Oxiconazole
cas: 64211-45-6
chebiid: CHEBI:7825
chemspiderid: 4510239
dtxsid: DTXSID8040690
formula: C18H13Cl4N3O1
inchikey: QRJJEGAJXVEBNE-HKOYGPOVSA-N
norman_susdat_id: NS00005067
pubchem_cid: 5353853
smiles: Clc1ccc(CON=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
inchi:
InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+


name: (Z)-1-[2-(2,4-dichlorophenyl)-2-[[(2,4-dichlorophenyl)oxy]imino]ethyl]-1H-imidazole mononitrate
cas: 64211-46-7
dtxsid: DTXSID2045943
formula: C17H11Cl4N3O
inchikey: HKGHLICSVZZSNH-BVXBIMGVSA-N
norman_susdat_id: NS00054152
pubchem_cid: 20843622
smiles: O=[N+]([O-])O.ClC1=CC=C(ON=C(C2=CC=C(Cl)C=C2Cl)CN3C=NC=C3)C(Cl)=C1
inchi:
InChI=1/C17H11Cl4N3O.HNO3/c18-11-1-3-13(14(20)7-11)16(9-24-6-5-22-10-24)23-25-17-4-2-12(19)8-15(17)21;2-1(3)4/h1-8,10H,9H2;(H,2,3,4)


name: Bis(2-ethylhexyl) terephthalate
cas: 6422-86-2
chemspiderid: 21471
dtxsid: DTXSID7027625
formula: C24H38O4
inchikey: RWPICVVBGZBXNA-UHFFFAOYSA-N
norman_susdat_id: NS00007552
pubchem_cid: 22932
smiles: CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC
inchi:
InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3


name: Imipenem
cas: 64221-86-9
chemspiderid: 43065
dtxsid: DTXSID2023143
formula: C12H17N3O4S1
inchikey: ZSKVGTPCRGIANV-LKEWCRSYSA-N
norman_susdat_id: NS00005888
pubchem_cid: 47317
smiles: C[C@H](O)[C@@H]1[C@H]2CC(SCCN=CN)=C(N2C1=O)C(O)=O
inchi:
InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7+,9+/m0/s1


cas: 64228-77-9
formula: C51H66N2O12
inchikey: KFNBBSMQNSQPPJ-UHFFFAOYSA-N
norman_susdat_id: NS00054154
pubchem_cid: 6454827
name:
1,5-pentanediyl bis[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate]

inchi:
InChI=1/C51H66N2O12/c1-56-42-14-12-34(28-44(42)58-3)26-40-38-32-48(62-7)46(60-5)30-36(38)16-20-52(40)22-18-50(54)64-24-10-9-11-25-65-51(55)19-23-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4/h12-15,28-33,40-41H,9-11,16-27H2,1-8H3

smiles:
O=C(OCCCCCOC(=O)CCN1CCC2=CC(OC)=C(OC)C=C2C1CC3=CC=C(OC)C(OC)=C3)CCN4CCC5=CC(OC)=C(OC)C=C5C4CC6=CC=C(OC)C(OC)=C6


name: Atrcurium
cas: 64228-79-1
chebiid: CHEBI:2914
chemspiderid: 43067
dtxsid: DTXSID9043726
formula: C53H72N2O12
inchikey: YXSLJKQTIDHPOT-UHFFFAOYSA-N
norman_susdat_id: NS00004297
pubchem_cid: 47319
inchi:
InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2

smiles:
COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC


cas: 64228-80-4
formula: C53H72N2O12.2CH3O3S
inchikey: YOVGQSPPOZQQBB-UHFFFAOYSA-L
norman_susdat_id: NS00086139
name:
2,2'-[1,5-pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium] dimethanesulphonate

inchi:
InChI=1/C53H72N2O12.2CH4O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*1-5(2,3)4/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1H3,(H,2,3,4)/q+2;;/p-2

smiles:
COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC.CS(=O)(=O)[O-].CS(=O)(=O)[O-]


name: Atracurium besilate
cas: 64228-81-5
chebiid: CHEBI:2915
formula: C53H72N2O12.2C6H5O3S
inchikey: XXZSQOVSEBAPGS-UHFFFAOYSA-L
norman_susdat_id: NS00086140
inchi:
InChI=1/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2

smiles:
COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC.[O-]S(=O)(=O)c7ccccc7.[O-]S(=O)(=O)c8ccccc8


name: Benproperine embonate
cas: 64238-92-2
formula: C23H16O6.2C21H27NO
inchikey: CQHJYBVGDAOFNH-UHFFFAOYSA-N
norman_susdat_id: NS00086387
smiles: CC(COc1ccccc1Cc2ccccc2)N3CCCCC3.OC(=O)c4cc5ccccc5c(Cc6c(O)c(cc7ccccc67)C(=O)O)c4O
inchi:
InChI=1/C23H16O6.C21H27NO/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-7,10-13,18H,3,8-9,14-17H2,1H3


name: 5'a-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione phosphate
cas: 6424-36-8
formula: C35H39N5O5.xH3O4P
inchikey: SCTIUNDDSVXTLN-GRMMLOPMSA-N
norman_susdat_id: NS00082184
inchi:
InChI=1/C35H39N5O5.H3O4P/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41);(H3,1,2,3,4)

smiles:
OP(O)(=O)O.CN2C[C@@H](/C=C1/c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@@]5(O[C@]8(O)N(C5=O)[C@@H](Cc6ccccc6)C(=O)N7CCC[C@H]78)C(C)C


name: Aceanthryleno[2,1-a]aceanthrylene-5,13-dione, 3,11-dichloro-
cas: 6424-51-7
chemspiderid: 73013
dtxsid: DTXSID3064350
formula: C30H12Cl2O2
inchikey: JJDXRBHQZOUEAQ-UHFFFAOYSA-N
norman_susdat_id: NS00021303
pubchem_cid: 80895
smiles: Clc1cc2c(cc1)c1=c3c(cccc3c2=O)c2c1c1cccc3c1=c2c1ccc(Cl)cc1c3=O
inchi:
InChI=1S/C30H12Cl2O2/c31-13-7-9-15-21(11-13)29(33)19-5-1-3-17-23(19)25(15)28-18-4-2-6-20-24(18)26(27(17)28)16-10-8-14(32)12-22(16)30(20)34/h1-12H


name: 5,7-dichloro-1,2-dihydro-2-(1-oxonaphtho[2,1-b]thien-2(1H)-ylidene)-3H-indol-3-one
cas: 6424-67-5
formula: C20H9Cl2NO2S
inchikey: BKVJJSTZTYUNCH-UHFFFAOYSA-N
norman_susdat_id: NS00045970
pubchem_cid: NA
smiles: O=C1C=2C=C(Cl)C=C(Cl)C2NC1=C3SC=4C=CC=5C=CC=CC5C4C3=O
inchi:
InChI=1/C20H9Cl2NO2S/c21-10-7-12-16(13(22)8-10)23-17(18(12)24)20-19(25)15-11-4-2-1-3-9(11)5-6-14(15)26-20/h1-8,23H


name: Sodium 6-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonate
cas: 6424-75-5
dtxsid: DTXSID8064351
formula: C21H15BrN2O5S
inchikey: HFOJCMALUODYIS-UHFFFAOYSA-M
norman_susdat_id: NS00045971
pubchem_cid: NA
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C=3C(=CC(Br)=C(N)C13)NC4=CC=C(C=C4C)S(=O)(=O)[O-]
inchi:
InChI=1/C21H15BrN2O5S.Na/c1-10-8-11(30(27,28)29)6-7-15(10)24-16-9-14(22)19(23)18-17(16)20(25)12-4-2-3-5-13(12)21(18)26;/h2-9,24H,23H2,1H3,(H,27,28,29);/q;+1/p-1


name: 17,18-dihydrodinaphtho[1',2',3':3,4;3'',2'',1'':9,10]perylo[1,12-efg][1,4]dioxocin-5,10-dione
cas: 6424-76-6
dtxsid: DTXSID00863814
formula: C36H18O4
inchikey: YSQTVHQHQMTBHP-UHFFFAOYSA-N
norman_susdat_id: NS00046737
pubchem_cid: 73555234
smiles: O=C1C=2C=CC=CC2C=3C=C4OCCOC=5C=C6C=7C=CC=CC7C(=O)C=8C=CC=9C%10=CC=C1C3C%10=C4C5C9C86
inchi:
InChI=1/C36H18O4/c37-35-21-7-3-1-5-17(21)25-15-27-33-31-19(9-11-23(35)29(25)31)20-10-12-24-30-26(18-6-2-4-8-22(18)36(24)38)16-28(34(33)32(20)30)40-14-13-39-27/h1-12,15-16H,13-14H2


name: Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(4-methoxyphenyl)-
cas: 6424-77-7
chemspiderid: 73016
dtxsid: DTXSID3064352
formula: C38H22N2O6
inchikey: VZFVREBNFMQPSI-UHFFFAOYSA-N
norman_susdat_id: NS00021304
pubchem_cid: 80898
smiles: COc1ccc(cc1)n1c(=O)c2ccc3c4c5c(ccc6c(=O)n(c(=O)c(cc4)c56)c4ccc(OC)cc4)c4c3c2c(cc4)c1=O
inchi:
InChI=1S/C38H22N2O6/c1-45-21-7-3-19(4-8-21)39-35(41)27-15-11-23-25-13-17-29-34-30(38(44)40(37(29)43)20-5-9-22(46-2)10-6-20)18-14-26(32(25)34)24-12-16-28(36(39)42)33(27)31(23)24/h3-18H,1-2H3


name: Sodium 4-(4-acetamidophenyl-1-amino)-1-amino-9,10-dioxoanthracene-2-sulphonate
cas: 6424-85-7
formula: C22H17N3O6S.Na
inchikey: NTOOJLUHUFUGQI-UHFFFAOYSA-M
norman_susdat_id: NS00082147
smiles: CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O[Na])cc1
inchi:
InChI=1/C22H17N3O6S.Na/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28;/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31);/q;+1/p-1/rC22H16N3NaO6S/c1-11(27)24-12-6-8-13(9-7-12)25-16-10-17(33(30,31)32-26)20(23)19-18(16)21(28)14-4-2-3-5-15(14)22(19)29/h2-10,25H,23H2,1H3,(H,24,27)


name: 4-[[(1-methylheptyl)oxy]carbonyl]phenyl 4-(hexyloxy)benzoate
cas: 64240-64-8
dtxsid: DTXSID30982789
formula: C28H38O5
inchikey: PLGPDUBTEHIWRH-UHFFFAOYSA-N
norman_susdat_id: NS00053316
pubchem_cid: 3017505
smiles: O=C(OC1=CC=C(C=C1)C(=O)OC(C)CCCCCC)C2=CC=C(OCCCCCC)C=C2
inchi:
InChI=1/C28H38O5/c1-4-6-8-10-12-22(3)32-27(29)23-15-19-26(20-16-23)33-28(30)24-13-17-25(18-14-24)31-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3


name: 4-[(2-methylbutoxy)carbonyl]phenyl 4-(hexyloxy)benzoate
cas: 64240-65-9
dtxsid: DTXSID30886672
formula: C25H32O5
inchikey: PFFXLOXLWSVOSP-UHFFFAOYSA-N
norman_susdat_id: NS00053317
pubchem_cid: 115820
smiles: O=C(OC1=CC=C(C=C1)C(=O)OCC(C)CC)C2=CC=C(OCCCCCC)C=C2
inchi:
InChI=1/C25H32O5/c1-4-6-7-8-17-28-22-13-9-21(10-14-22)25(27)30-23-15-11-20(12-16-23)24(26)29-18-19(3)5-2/h9-16,19H,4-8,17-18H2,1-3H3


name: 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
cas: 642459-21-0
formula: C10H9ClN4O2S
inchikey: RSNSGNZRUMHXAY-UHFFFAOYSA-N
norman_susdat_id: NS00071539
pubchem_cid: 9994066
smiles: NS(=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1
inchi:
InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17)


name: Anilofos
cas: 64249-01-0
chebiid: CHEBI:81728
chemspiderid: 82790
dtxsid: DTXSID5058149
formula: C13H19Cl1N1O3P1S2
inchikey: NXQDBZGWYSEGFL-UHFFFAOYSA-N
norman_susdat_id: NS00002098
pubchem_cid: 91687
smiles: COP(=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1
inchi:
InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3


name: Propanoic acid, 3-(dodecylthio)-, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester
cas: 64253-30-1
chemspiderid: 84276
dtxsid: DTXSID6029387
formula: C38H74O7S2
inchikey: NMWLFOFCBZILSO-UHFFFAOYSA-N
norman_susdat_id: NS00021305
pubchem_cid: 93351
smiles: CCCCCCCCCCCCSCCC(=O)OCCOCCOCCOCCOC(=O)CCSCCCCCCCCCCCC
inchi:
InChI=1S/C38H74O7S2/c1-3-5-7-9-11-13-15-17-19-21-33-46-35-23-37(39)44-31-29-42-27-25-41-26-28-43-30-32-45-38(40)24-36-47-34-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3


cas: 64253-81-2
formula: C29H19Cl2N9O16S5
inchikey: CKQUBMVSCOEBSM-UHFFFAOYSA-N
norman_susdat_id: NS00054155
pubchem_cid: NA
name:
2-[[1-amino-7-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]-8-hydroxy-3,6-disulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid

inchi:
InChI=1/C29H19Cl2N9O16S5/c30-27-34-28(31)36-29(35-27)33-12-4-7-18(58(45,46)47)16(10-12)38-40-24-20(60(51,52)53)9-11-8-19(59(48,49)50)23(22(32)21(11)25(24)41)39-37-15-6-5-13-14(26(15)61(54,55)56)2-1-3-17(13)57(42,43)44/h1-10,41H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,33,34,35,36)

smiles:
O=S(=O)(O)C1=CC=C(C=C1N=NC2=C(O)C=3C(C=C2S(=O)(=O)O)=CC(=C(N=NC4=CC=C5C(C=CC=C5S(=O)(=O)O)=C4S(=O)(=O)O)C3N)S(=O)(=O)O)NC=6N=C(Cl)N=C(Cl)N6


name: Fenpropathrin
cas: 64257-84-7
chebiid: CHEBI:39353
chemspiderid: 43074
dtxsid: DTXSID0024002
formula: C22H23N1O3
inchikey: XQUXKZZNEFRCAW-UHFFFAOYSA-N
norman_susdat_id: NS00000140
pubchem_cid: 47326
smiles: CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C
inchi:
InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3


name: Heptadecafluoro-N-(2-(phosphonooxy)ethyl)-N-propyloctanesulphonamide
cas: 64264-44-4
chemspiderid: 2285235
dtxsid: DTXSID20880543
formula: C13H13F17N1O6P1S1
inchikey: WTBPTHWHWVYYJV-UHFFFAOYSA-N
norman_susdat_id: NS00011346
pubchem_cid: 3017507
smiles: C(O[P](=O)(O)O)CN([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)CCC
inchi:
InChI=1S/C13H13F17NO6PS/c1-2-3-31(4-5-37-38(32,33)34)39(35,36)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h2-5H2,1H3,(H2,32,33,34)


name: beta -Alanine, N-(2-hydroxyethyl)-N-[2-[(1-oxooctyl)amino]ethyl]-
cas: 64265-45-8
chemspiderid: NA
dtxsid: DTXSID1070066
formula: C15H30N2O4
inchikey: OKFFNIVTSMRGQI-UHFFFAOYSA-N
norman_susdat_id: NS00020865
pubchem_cid: 116569
smiles: CCCCCCCC(=O)NCCN(CCO)CCC(=O)O
inchi:
InChI=1S/C15H30N2O4/c1-2-3-4-5-6-7-14(19)16-9-11-17(12-13-18)10-8-15(20)21/h18H,2-13H2,1H3,(H,16,19)(H,20,21)


name: N-[2-[bis(2-hydroxyethyl)amino]ethyl]stearamide monohydrochloride
cas: 64265-49-2
dtxsid: DTXSID40982811
formula: C24H50N2O3
inchikey: ANLDAHIIWSEIOK-UHFFFAOYSA-N
norman_susdat_id: NS00053319
pubchem_cid: 3017509
smiles: Cl.O=C(NCCN(CCO)CCO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H50N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)25-18-19-26(20-22-27)21-23-28;/h27-28H,2-23H2,1H3,(H,25,29);1H


name: Trimethylolpropane tris(2-methyl-1-aziridinepropionate)
cas: 64265-57-2
chemspiderid: 85374
dtxsid: DTXSID1052327
formula: C24H41N3O6
inchikey: YKEGOEUSKXVSPN-UHFFFAOYNA-N
norman_susdat_id: NS00019618
pubchem_cid: NA
smiles: CCC(COC(=O)CCN1CC1C)(COC(=O)CCN1CC1C)COC(=O)CCN1CC1C
inchi:
InChI=1S/C24H41N3O6/c1-5-24(15-31-21(28)6-9-25-12-18(25)2,16-32-22(29)7-10-26-13-19(26)3)17-33-23(30)8-11-27-14-20(27)4/h18-20H,5-17H2,1-4H3/t18-,19-,20+,25-,26-,27-/m0/s1


name: Cadmium dipalmitate
cas: 6427-86-7
formula: C16H32O2.1/2Cd
inchikey: DNLGWCVZSDBXAH-UHFFFAOYSA-L
norman_susdat_id: NS00081766
smiles: [Cd+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C16H32O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2


name: Octadecyl(dimethyl)ammonium ditridecyl phosphate
cas: 6427-98-1
formula: C26H55O4P.C20H43N
inchikey: UICHMASMHUXHBX-UHFFFAOYSA-N
norman_susdat_id: NS00082499
smiles: CCCCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCC
inchi:
InChI=1/C26H55O4P.C20H43N/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-31(27,28)30-26-24-22-20-18-16-14-12-10-8-6-4-2;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h3-26H2,1-2H3,(H,27,28);4-20H2,1-3H3


name: Diethyl hydrogen phosphate, compound with N,N-dimethyldodecylamine (1:1)
cas: 6428-00-8
formula: C14H31N.C4H11O4P
inchikey: OPWRMKRLIONGIV-UHFFFAOYSA-N
norman_susdat_id: NS00081767
smiles: CCCCCCCCCCCCN(C)C.CCOP(=O)(O)OCC
inchi:
InChI=1/C14H31N.C4H11O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-3-7-9(5,6)8-4-2/h4-14H2,1-3H3;3-4H2,1-2H3,(H,5,6)


cas: 6428-18-8
dtxsid: DTXSID10889545
formula: C42H35N7O15S4
inchikey: UNRFTGAEECGZGJ-UHFFFAOYSA-J
norman_susdat_id: NS00047244
pubchem_cid: NA
name:
Tetrasodium 5-(acetylamino)-3-[[4-[[3,5-dimethyl-4-[(8-sulphonato-2-naphthyl)azo]phenyl]azo]-2-ethoxy-6-sulphonato-1-naphthyl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C42H35N7O15S4.4Na/c1-5-64-35-20-33(46-45-27-13-21(2)39(22(3)14-27)47-44-26-10-9-24-7-6-8-36(31(24)17-26)67(58,59)60)32-18-28(65(52,53)54)11-12-30(32)40(35)48-49-41-37(68(61,62)63)16-25-15-29(66(55,56)57)19-34(43-23(4)50)38(25)42(41)51;;;;/h6-20,51H,5H2,1-4H3,(H,43,50)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC=3C(OCC)=CC(N=NC=4C=C(C(N=NC5=CC=C6C=CC=C(C6=C5)S(=O)(=O)[O-])=C(C4)C)C)=C7C=C(C=CC37)S(=O)(=O)[O-])C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C


cas: 6428-19-9
dtxsid: DTXSID70889546
formula: C45H34N8O15S4
inchikey: UIDVUKKCVSAGHS-UHFFFAOYSA-J
norman_susdat_id: NS00047245
pubchem_cid: NA
name:
Tetrasodium 5-[[6-[(3-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-6-ethoxy-8-[[7-sulphonato-4-[(3-sulphonatophenyl)azo]naphthyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C45H34N8O15S4.4Na/c1-2-68-40-23-39(51-50-38-16-15-37(33-13-10-30(21-35(33)38)70(59,60)61)49-48-28-7-4-8-29(20-28)69(56,57)58)36-22-31(71(62,63)64)11-14-34(36)42(40)52-53-43-41(72(65,66)67)19-25-18-27(9-12-32(25)44(43)54)47-45(55)24-5-3-6-26(46)17-24;;;;/h3-23,54H,2,46H2,1H3,(H,47,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C(OCC)=CC(N=NC4=CC=C(N=NC5=CC=CC(=C5)S(=O)(=O)[O-])C=6C=CC(=CC46)S(=O)(=O)[O-])=C7C=C(C=CC37)S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])C=8C=CC=C(N)C8


name: Trisodium 2,4-bis[[2,4-diamino-5-[(3-sulphonatophenyl)azo]phenyl]azo]benzenesulphonate
cas: 6428-26-8
formula: C30H26N12O9S3
inchikey: FNMUSJRVXAQLRS-UHFFFAOYSA-K
norman_susdat_id: NS00047246
pubchem_cid: 6454836
inchi:
InChI=1/C30H26N12O9S3.3Na/c31-21-12-22(32)26(14-25(21)38-35-16-3-1-5-19(9-16)52(43,44)45)40-37-18-7-8-30(54(49,50)51)29(11-18)42-41-28-15-27(23(33)13-24(28)34)39-36-17-4-2-6-20(10-17)53(46,47)48;;;/h1-15H,31-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC(N=NC3=CC=C(C(N=NC4=CC(N=NC5=CC=CC(=C5)S(=O)(=O)[O-])=C(N)C=C4N)=C3)S(=O)(=O)[O-])=C(N)C=C2N)C1


cas: 6428-27-9
formula: C30H24N11O10S2
inchikey: ZDPBEKOHGJQFOB-UHFFFAOYSA-L
norman_susdat_id: NS00047247
pubchem_cid: 135854071
name:
Disodium 4-[[2,4-diamino-5-[(3-sulphonatophenyl)azo]phenyl]azo]-2-[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]benzenesulphonate

inchi:
InChI=1/C30H23N11O10S2.2Na/c31-21-14-22(32)25(15-24(21)37-34-17-2-1-3-20(12-17)52(46,47)48)38-35-18-6-11-28(53(49,50)51)26(13-18)39-40-29-27(42)10-9-23(30(29)43)36-33-16-4-7-19(8-5-16)41(44)45;;/h1-15,42-43H,31-32H2,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC2=CC=C(O)C(N=NC3=CC(N=NC=4C=C(N=NC5=CC=CC(=C5)S(=O)(=O)[O-])C(N)=CC4N)=CC=C3S(=O)(=O)[O-])=C2O)C=C1


cas: 6428-31-5
dtxsid: DTXSID3064356
formula: C34H29N13O7S2
inchikey: UZZFFIUHUDOYPS-UHFFFAOYSA-L
norman_susdat_id: NS00046668
pubchem_cid: 135422074
name:
Disodium 4-amino-3,6-bis[[4-[(2,4-diaminophenyl)azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C34H29N13O7S2.2Na/c35-18-1-11-26(24(37)15-18)44-40-20-3-7-22(8-4-20)42-46-32-28(55(49,50)51)13-17-14-29(56(52,53)54)33(34(48)30(17)31(32)39)47-43-23-9-5-21(6-10-23)41-45-27-12-2-19(36)16-25(27)38;;/h1-16,48H,35-39H2,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(N=NC4=CC=C(N)C=C4N)C=C3)C(N)=C2C(O)=C1N=NC5=CC=C(N=NC6=CC=C(N)C=C6N)C=C5)S(=O)(=O)[O-]


cas: 6428-38-2
formula: C48H43N13O13S3
inchikey: ZCLZGAIIRSGUNH-UHFFFAOYSA-K
norman_susdat_id: NS00047259
pubchem_cid: NA
name:
2-Naphthalenesulfonic acid, 6-[[2-amino-4-[(2-hydroxyethyl)amino]phenyl]azo]-3-[[4-[[4-[[7-[[2-amino-4-[(2-hydroxyethyl)amino]phenyl]azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-4-hydroxy-, trisodium salt

inchi:
InChI=1/C48H43N13O13S3.3Na/c49-37-23-30(51-15-17-62)9-12-39(37)58-55-32-3-1-26-19-43(76(69,70)71)45(47(64)35(26)21-32)60-54-29-7-5-28(6-8-29)53-41-14-11-34(25-42(41)75(66,67)68)57-61-46-44(77(72,73)74)20-27-2-4-33(22-36(27)48(46)65)56-59-40-13-10-31(24-38(40)50)52-16-18-63;;;/h1-14,19-25,51-53,62-65H,15-18,49-50H2,(H,66,67,68)(H,69,70,71)(H,72,73,74);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C2C=CC(N=NC3=CC=C(C=C3N)NCCO)=CC2=C(O)C1N=NC4=CC=C(C=C4)NC5=CC=C(N=NC=6C(O)=C7C=C(N=NC8=CC=C(C=C8N)NCCO)C=CC7=CC6S(=O)(=O)[O-])C=C5S(=O)(=O)[O-]


cas: 6428-58-6
formula: C42H29N7O13S4
inchikey: GFHXFXWHOQSKNA-UHFFFAOYSA-J
norman_susdat_id: NS00047260
pubchem_cid: 135853931
name:
Tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate

inchi:
InChI=1/C42H29N7O13S4.4Na/c50-42-29-13-10-26(43-25-6-2-1-3-7-25)20-24(29)21-40(66(60,61)62)41(42)49-47-36-17-18-37(33-22-27(63(51,52)53)11-14-32(33)36)46-44-34-15-16-35(31-9-5-4-8-30(31)34)45-48-38-23-28(64(54,55)56)12-19-39(38)65(57,58)59;;;;/h1-23,43,50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C(N=NC2=CC=C(N=NC3=CC=C(N=NC=4C(O)=C5C=CC(=CC5=CC4S(=O)(=O)[O-])NC=6C=CC=CC6)C=7C=CC(=CC37)S(=O)(=O)[O-])C=8C=CC=CC28)=C1)S(=O)(=O)[O-]


cas: 6428-60-0
dtxsid: DTXSID30889547
formula: C42H29N7O13S4
inchikey: CTIIFDITHFRQBX-UHFFFAOYSA-J
norman_susdat_id: NS00047261
pubchem_cid: 80906
name:
Tetrasodium 5-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-8-[[6-sulphonato-4-[(3-sulphonatophenyl)azo]naphthyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C42H29N7O13S4.4Na/c50-42-31-12-9-26(43-25-5-2-1-3-6-25)19-24(31)20-40(66(60,61)62)41(42)49-48-37-16-18-39(35-23-30(65(57,58)59)11-14-33(35)37)47-46-36-15-17-38(34-22-29(64(54,55)56)10-13-32(34)36)45-44-27-7-4-8-28(21-27)63(51,52)53;;;;/h1-23,43,50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N=NC3=CC=C(N=NC=4C(O)=C5C=CC(=CC5=CC4S(=O)(=O)[O-])NC=6C=CC=CC6)C=7C=CC(=CC37)S(=O)(=O)[O-])C=8C=CC(=CC28)S(=O)(=O)[O-])C1


name: Disodium 4,4'-bis[(2-hydroxy-1-naphthyl)azo]-5,5'-dimethoxy[1,1'-biphenyl]-2,2'-disulphonate
cas: 6428-81-5
formula: C34H26N4O10S2
inchikey: MAGDVEUMSQOTTO-UHFFFAOYSA-L
norman_susdat_id: NS00046669
pubchem_cid: NA
inchi:
InChI=1/C34H26N4O10S2.2Na/c1-47-29-15-23(31(49(41,42)43)17-25(29)35-37-33-21-9-5-3-7-19(21)11-13-27(33)39)24-16-30(48-2)26(18-32(24)50(44,45)46)36-38-34-22-10-6-4-8-20(22)12-14-28(34)40;;/h3-18,39-40H,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(N=NC2=C(O)C=CC=3C=CC=CC32)=C(OC)C=C1C=4C=C(OC)C(N=NC5=C(O)C=CC=6C=CC=CC65)=CC4S(=O)(=O)[O-]


cas: 64283-57-4
formula: C25H50N2O6S.Na
inchikey: HPHSQXYITTYVEY-KVVVOXFISA-M
norman_susdat_id: NS00086142
smiles: [Na+].CCCCCCCC\C=C/CCCCCCCC(=O)NCCN(CCO)CC(O)CS(=O)(=O)[O-]
name:
Sodium (Z)-2-hydroxy-3-[(2-hydroxyethyl)[2-[(1-oxo-9-octadecenyl)amino]ethyl]amino]propanesulphonate

inchi:
InChI=1/C25H50N2O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)26-18-19-27(20-21-28)22-24(29)23-34(31,32)33;/h9-10,24,28-29H,2-8,11-23H2,1H3,(H,26,30)(H,31,32,33);/q;+1/p-1


cas: 64285-48-9
formula: C29H33N2O3S3
inchikey: YRFUOEGOPWKHQT-UHFFFAOYSA-N
norman_susdat_id: NS00053320
pubchem_cid: NA
smiles: O=S(=O)([O-])CCCN1C(SC=2C=CC=CC21)=CC3=CC(=CC=4SC=5C=CC=CC5[N+]4CC)CC(C)(C)C3
name:
2-[[5,5-dimethyl-3-[[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]cyclohex-2-en-1-ylidene]methyl]-3-ethylbenzothiazolium

inchi:
InChI=1/C29H32N2O3S3/c1-4-30-23-10-5-7-12-25(23)35-27(30)17-21-16-22(20-29(2,3)19-21)18-28-31(14-9-15-37(32,33)34)24-11-6-8-13-26(24)36-28/h5-8,10-13,16-18H,4,9,14-15,19-20H2,1-3H3


cas: 64291-45-8
formula: C33H39NO14.ClH
inchikey: PJODMULXZJQLDJ-VPAAQIEXSA-N
norman_susdat_id: NS00087124
name:
Acetic acid, diethoxy-, 2-[4-[(3-amino-2,3,6-trideoxy-a-l-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl ester, hydrochloride, (2S-cis)-

inchi:
InChI=1/C33H39NO14.ClH/c1-5-44-32(45-6-2)31(41)46-13-20(35)33(42)11-16-23(19(12-33)48-21-10-17(34)26(36)14(3)47-21)30(40)25-24(28(16)38)27(37)15-8-7-9-18(43-4)22(15)29(25)39;/h7-9,14,17,19,21,26,32,36,38,40,42H,5-6,10-13,34H2,1-4H3;1H

smiles:
Cl.CCOC(OCC)C(=O)OCC(=O)C1(O)CC(O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1


name: Homosildenafil
cas: 642928-07-2
chemspiderid: 22547032
dtxsid: DTXSID10214510
formula: C23H32N6O4S1
inchikey: MJEXYQIZUOHDGY-UHFFFAOYSA-N
norman_susdat_id: NS00001875
pubchem_cid: 24756844
smiles: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
inchi:
InChI=1S/C23H32N6O4S/c1-5-8-18-20-21(27(4)26-18)23(30)25-22(24-20)17-15-16(9-10-19(17)33-7-3)34(31,32)29-13-11-28(6-2)12-14-29/h9-10,15H,5-8,11-14H2,1-4H3,(H,24,25,30)


name: 2-Chloro-N-{2-[(E)-(2-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl}acetamide
cas: 64294-88-8
chemspiderid: 23351955
dtxsid: DTXSID70732684
formula: C19H19Cl1N6O3
inchikey: CULIYQPRUGMRRT-WCWDXBQESA-N
norman_susdat_id: NS00021307
pubchem_cid: NA
smiles: CCN(CC)c1cc(NC(=O)CCl)c(cc1)N=Nc1c(cc(cc1)[N+](=O)[O-])C#N
inchi:
InChI=1S/C19H19ClN6O3/c1-3-25(4-2)14-5-8-17(18(10-14)22-19(27)11-20)24-23-16-7-6-15(26(28)29)9-13(16)12-21/h5-10H,3-4,11H2,1-2H3,(H,22,27)


name: Neosaxitoxin
cas: 64296-20-4
chemspiderid: 19975931
dtxsid: DTXSID70880098
formula: C10H17N7O5
inchikey: PPEKGEBBBBNZKS-UHFFFAOYSA-N
norman_susdat_id: NS00009030
pubchem_cid: 54751268
smiles: NC(=O)OCC1C2NC(N)=NC22N(CCC2(O)O)C(=N)N1O
inchi:
InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)


name: Gonyautoxin V
cas: 64296-25-9
chemspiderid: 28567954
dtxsid: DTXSID60214520
formula: C10H17N7O7S1
inchikey: JKKCSFJSULZNDN-UHFFFAOYSA-N
norman_susdat_id: NS00006220
pubchem_cid: NA
smiles: NC1=NC23C(N1)C(COC(=O)NS(O)(=O)=O)N=C(N)N2CCC3(O)O
inchi:
InChI=1S/C10H17N7O7S/c11-6-14-5-4(3-24-8(18)16-25(21,22)23)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-20H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)


name: D-Fructose, 6-(dihydrogen phosphate)
cas: 643-13-0
chebiid: CHEBI:16084
chemspiderid: 389526
dtxsid: DTXSID90889361
formula: C6H13O9P1
inchikey: BGWGXPAPYGQALX-ARQDHWQXSA-N
norman_susdat_id: NS00015225
pubchem_cid: 440641
smiles: C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
inchi:
InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1


name: Erythromycin stearate
cas: 643-22-1
formula: C37H67NO13.C18H36O2
inchikey: SUDWFYYCHWBVFZ-YZPBMOCRSA-N
norman_susdat_id: NS00093459
inchi:
InChI=1/C37H67NO13.C17H34O2/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-16H2,1H3,(H,18,19)

smiles:
CCCCCCCCCCCCCCCCC(O)=O.CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]3O


name: Malvidin
cas: 643-84-5
chebiid: CHEBI:6674
chemspiderid: 140095
dtxsid: DTXSID30146622
formula: C17H15O7
inchikey: KZMACGJDUUWFCH-UHFFFAOYSA-O
norman_susdat_id: NS00003033
pubchem_cid: 159287
smiles: COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O
inchi:
InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1


name: Magnesium hydroxymethanesulphinate (1:2)
cas: 64310-27-6
formula: CH4O3S.1/2Mg
inchikey: TZQNSZDITYFCHA-UHFFFAOYSA-L
norman_susdat_id: NS00087157
smiles: [MgH2].OCS(=O)[O-].OCS(=O)[O-]
inchi:
InChI=1/2CH4O3S.Mg.2H/c2*2-1-5(3)4;;;/h2*2H,1H2,(H,3,4);;;/q;;+2;;/p-2/r2CH4O3S.H2Mg/c2*2-1-5(3)4;/h2*2H,1H2,(H,3,4);1H2/q;;+2/p-2


cas: 64314-52-9
chemspiderid: 436086
dtxsid: DTXSID90867068
formula: C26H27N1O10
inchikey: XVXGYZFARCOVHS-BINOZUKVSA-N
norman_susdat_id: NS00011907
pubchem_cid: 498156
smiles: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)CO)O)N)O
name:
3,5,12-Trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside

inchi:
InChI=1S/C26H27NO10/c1-10-21(30)14(27)6-17(36-10)37-15-8-26(35,16(29)9-28)7-13-18(15)25(34)20-19(24(13)33)22(31)11-4-2-3-5-12(11)23(20)32/h2-5,10,14-15,17,21,28,30,33-35H,6-9,27H2,1H3/t10-,14-,15-,17-,21+,26-/m0/s1


name: gemeprost
cas: 64318-79-2
chemspiderid: 4939702
dtxsid: DTXSID40895073
formula: C23H38O5
inchikey: KYBOHGVERHWSSV-VENBMSGHSA-N
norman_susdat_id: NS00004301
pubchem_cid: NA
smiles: CCCCC(C)(C)[C@H](O)C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCC=CC(=O)OC
inchi:
InChI=1S/C23H38O5/c1-5-6-15-23(2,3)21(26)14-13-18-17(19(24)16-20(18)25)11-9-7-8-10-12-22(27)28-4/h10,12-14,17-18,20-21,25-26H,5-9,11,15-16H2,1-4H3/b12-10+,14-13-/t17-,18-,20-,21+/m0/s1


name: Adenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-
cas: 64325-78-6
chemspiderid: 2006623
dtxsid: DTXSID6074964
formula: C38H35N5O6
inchikey: LPICNYATEWGYHI-WIHCDAFUSA-N
norman_susdat_id: NS00035668
pubchem_cid: 2724489
smiles: COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2NC(=O)c1ccccc1)(c1ccccc1)c1ccc(OC)cc1
inchi:
InChI=1S/C38H35N5O6/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-2)20-16-28)48-22-32-31(44)21-33(49-32)43-24-41-34-35(39-23-40-36(34)43)42-37(45)25-9-5-3-6-10-25/h3-20,23-24,31-33,44H,21-22H2,1-2H3,(H,39,40,42,45)/t31-,32+,33+/m0/s1


name: 2,2-diethyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
cas: 64338-09-6
dtxsid: DTXSID90214558
formula: C15H28N2O2
inchikey: YFCHXORLRMHHBR-UHFFFAOYSA-N
norman_susdat_id: NS00054198
pubchem_cid: 6454848
smiles: O=C1NC(OC12CC(NC(C)(C)C2)(C)C)(CC)CC
inchi:
InChI=1/C15H28N2O2/c1-7-15(8-2)16-11(18)14(19-15)9-12(3,4)17-13(5,6)10-14/h17H,7-10H2,1-6H3,(H,16,18)


name: 7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosan-21-one, 2,2,4,4-tetramethyl-
cas: 64338-16-5
chemspiderid: 548427
dtxsid: DTXSID1074672
formula: C22H40N2O2
inchikey: IVVLFHBYPHTMJU-UHFFFAOYSA-N
norman_susdat_id: NS00010160
pubchem_cid: 631596
smiles: CC1(C)CC2(CC(C)(C)N1)OC1(CCCCCCCCCCC1)NC2=O
inchi:
InChI=1S/C22H40N2O2/c1-19(2)16-21(17-20(3,4)24-19)18(25)23-22(26-21)14-12-10-8-6-5-7-9-11-13-15-22/h24H,5-17H2,1-4H3,(H,23,25)


name: 2,2,4,4,10,10,12,12-octamethyl-7-oxa-3,11,14-triazadispiro[5.1.5.2]pentadecan-15-one
cas: 64338-17-6
dtxsid: DTXSID50214559
formula: C19H35N3O2
inchikey: ZXAKTFGAXOORCD-UHFFFAOYSA-N
norman_susdat_id: NS00053370
pubchem_cid: 6454849
smiles: O=C1NC2(OC13CC(NC(C)(C)C3)(C)C)CC(NC(C)(C)C2)(C)C
inchi:
InChI=1/C19H35N3O2/c1-14(2)9-18(10-15(3,4)21-14)13(23)20-19(24-18)11-16(5,6)22-17(7,8)12-19/h21-22H,9-12H2,1-8H3,(H,20,23)


cas: 64339-18-0
dtxsid: DTXSID60214560
formula: C32H31N2O3
inchikey: HOBOQJPLKJVCCX-UHFFFAOYSA-M
norman_susdat_id: NS00052939
pubchem_cid: 153491
smiles: [Cl-].O=C(O)C=1C=CC=CC1C=2C=3C=C4C5=C(C3[O+]=C6C2C=C7C8=C6CCCN8CCC7)CCCN5CCC4
name:
9-(2-carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium chloride

inchi:
InChI=1/C32H30N2O3.ClH/c35-32(36)22-10-2-1-9-21(22)27-25-17-19-7-3-13-33-15-5-11-23(28(19)33)30(25)37-31-24-12-6-16-34-14-4-8-20(29(24)34)18-26(27)31;/h1-2,9-10,17-18H,3-8,11-16H2;1H


name: 2-Naphthalenol, 1-[(2-hydroxy-4-nitrophenyl)azo]-
cas: 6434-57-7
chemspiderid: 7850374
dtxsid: DTXSID8064357
formula: C16H11N3O4
inchikey: YEGLPRUOBWQNHJ-UHFFFAOYSA-N
norman_susdat_id: NS00035671
pubchem_cid: NA
smiles: Oc1c(N/N=C/2C(=O)C=Cc3ccccc23)ccc(c1)[N+](=O)[O-]
inchi:
InChI=1S/C16H11N3O4/c20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21/h1-9,17,21H/b18-16-


name: Sodium 5,6,7,8-tetrahydronaphthalene-1-sulphonate
cas: 64346-09-4
dtxsid: DTXSID0070071
formula: C10H12O3S
inchikey: KSNRKMFHNKRKJU-UHFFFAOYSA-M
norman_susdat_id: NS00052558
pubchem_cid: 116574
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C2C1CCCC2
inchi:
InChI=1/C10H12O3S.Na/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h3,5,7H,1-2,4,6H2,(H,11,12,13);/q;+1/p-1


name: Octadecyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)
cas: 64346-12-9
formula: C18H39O4P.C4H11NO2
inchikey: IAOSACPBECWNRX-UHFFFAOYSA-N
norman_susdat_id: NS00086223
smiles: CCCCCCCCCCCCCCCCCCOP(=O)(O)O.OCCNCCO
inchi:
InChI=1/C18H39O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;6-3-1-5-2-4-7/h2-18H2,1H3,(H2,19,20,21);5-7H,1-4H2


name: Bis(2-hydroxyethyl)ammonium octadecyl sulphate
cas: 64346-13-0
formula: C18H38O4S.C4H11NO2
inchikey: FXENCNXRPCFSSX-UHFFFAOYSA-N
norman_susdat_id: NS00086224
smiles: CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH2+]CCO
inchi:
InChI=1/C18H38O4S.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;6-3-1-5-2-4-7/h2-18H2,1H3,(H,19,20,21);5-7H,1-4H2


name: Bis[(2-ethylhexyl)ammonium] 6-methylheptyl phosphate
cas: 64346-27-6
formula: C8H19N.1/2C8H19O4P
inchikey: JUVVRHRYAMNTJD-UHFFFAOYSA-N
norman_susdat_id: NS00086283
smiles: CCCCC(CC)C[NH3+].CCCCC(CC)C[NH3+].CC(C)CCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/2C8H19N.C8H19O4P/c2*1-3-5-6-8(4-2)7-9;1-8(2)6-4-3-5-7-12-13(9,10)11/h2*8H,3-7,9H2,1-2H3;8H,3-7H2,1-2H3,(H2,9,10,11)


name: Benzenemethanol, 4-amino-.alpha.-(4-amino-3-methylphenyl)-.alpha.-(2-chlorophenyl)-3-methyl-
cas: 64346-28-7
chemspiderid: 104226
dtxsid: DTXSID0070077
formula: C21H21Cl1N2O1
inchikey: ONGDAVRPAVGLAL-UHFFFAOYSA-N
norman_susdat_id: NS00035673
pubchem_cid: 116582
smiles: Cc1c(N)ccc(c1)C(O)(c1cc(C)c(N)cc1)c1c(Cl)cccc1
inchi:
InChI=1S/C21H21ClN2O/c1-13-11-15(7-9-19(13)23)21(25,17-5-3-4-6-18(17)22)16-8-10-20(24)14(2)12-16/h3-12,25H,23-24H2,1-2H3


name: 2-[2-[4-(diethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate
cas: 64346-30-1
formula: C23H29N2.C2H3O2
inchikey: KEUVYXFBMUFRGG-UHFFFAOYSA-M
norman_susdat_id: NS00086226
smiles: CCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-]
inchi:
InChI=1/C23H29N2.C2H4O2/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-2(3)4/h8-17H,6-7H2,1-5H3;1H3,(H,3,4)/q+1;/p-1


cas: 64346-35-6
dtxsid: DTXSID10889828
formula: C28H23N5O11S3
inchikey: NCJICTLEZZUGTQ-UHFFFAOYSA-K
norman_susdat_id: NS00053097
pubchem_cid: 174037
name:
Trisodium 3-[[4-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C28H23N5O11S3.3Na/c1-14-8-22(32-33-27-26(47(41,42)43)10-15-9-16(29)6-7-18(15)28(27)34)23(44-2)13-21(14)31-30-17-11-20-19(25(12-17)46(38,39)40)4-3-5-24(20)45(35,36)37;;;/h3-13,34H,29H2,1-2H3,(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=CC=2C1=CC(N=NC=3C=C(OC)C(N=NC=4C(O)=C5C=CC(N)=CC5=CC4S(=O)(=O)[O-])=CC3C)=CC2S(=O)(=O)[O-]


cas: 64346-41-4
formula: C37H32N6O15S4.4Li
inchikey: CULWSHNMQRWIQY-UHFFFAOYSA-J
norman_susdat_id: NS00086227
name:
Tetralithium 3,3'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-1,5-disulphonate)

inchi:
InChI=1/C37H32N6O15S4.4Li/c1-19-11-29(31(57-3)17-27(19)42-40-21-13-25-23(35(15-21)61(51,52)53)7-5-9-33(25)59(45,46)47)38-37(44)39-30-12-20(2)28(18-32(30)58-4)43-41-22-14-26-24(36(16-22)62(54,55)56)8-6-10-34(26)60(48,49)50;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4

smiles:
[Li+].[Li+].[Li+].[Li+].COc6cc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc3c(cccc3c(c4)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC


name: Decyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:2)
cas: 64346-51-6
formula: C10H23O4P.2C4H11NO2
inchikey: JACBLUSHLADVLF-UHFFFAOYSA-N
norman_susdat_id: NS00086934
smiles: CCCCCCCCCCOP(=O)(O)O.OCCNCCO.OCCNCCO
inchi:
InChI=1/C10H23O4P.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;2*6-3-1-5-2-4-7/h2-10H2,1H3,(H2,11,12,13);2*5-7H,1-4H2


name: 2,2'-[cyclohexane-1,2-diylbis(nitrilomethylidyne)]bisphenol
cas: 64346-55-0
dtxsid: DTXSID30886677
formula: C20H22N2O2
inchikey: WCSLPBBQHFXWBW-UHFFFAOYSA-N
norman_susdat_id: NS00052600
pubchem_cid: 115824
smiles: OC=1C=CC=CC1C=NC2CCCCC2N=CC=3C=CC=CC3O
inchi:
InChI=1/C20H22N2O2/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24/h1-2,5-8,11-14,17-18,23-24H,3-4,9-10H2


name: Dodecyl dihydrogen phosphate, compound with morpholine (1:1)
cas: 64346-58-3
formula: C12H27O4P.C4H9NO
inchikey: ZJUQAKSRPKVGEA-UHFFFAOYSA-N
norman_susdat_id: NS00086284
smiles: CCCCCCCCCCCCOP(=O)(O)O.C1COCCN1
inchi:
InChI=1/C12H27O4P.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-3-6-4-2-5-1/h2-12H2,1H3,(H2,13,14,15);5H,1-4H2


name: [2-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]ethylamino]ethyl]diethylmethyl chloride
cas: 64346-61-8
dtxsid: DTXSID50886679
formula: C22H29Cl2N4O2
inchikey: CBRFFWMEBAJTJO-UHFFFAOYSA-N
norman_susdat_id: NS00053937
pubchem_cid: NA
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2C)N(CC)CCC(Cl)(CC)CC)C(Cl)=C1
inchi:
InChI=1/C22H28Cl2N4O2/c1-5-22(24,6-2)12-13-27(7-3)17-8-10-20(16(4)14-17)25-26-21-11-9-18(28(29)30)15-19(21)23/h8-11,14-15H,5-7,12-13H2,1-4H3


cas: 64346-65-2
dtxsid: DTXSID00982892
formula: C49H101N4O7
inchikey: YHHVHQUFMDUZAJ-UHFFFAOYSA-M
norman_susdat_id: NS00052601
pubchem_cid: 6454859
smiles: O=C(OCCN(CCO)CCN(CCO)CC[N+](C)(CCO)CCN(C(=O)CCCCCCCCCCCCCCC)CCO)CCCCCCCCCCCCCCC.O=S(=O)([O-])OC
name:
Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)[2-[(2-hydroxyethyl)[2-[(1-oxohexadecyl)oxy]ethyl]amino]ethyl]amino]ethyl]-2-[(2-hydroxyethyl)(1-oxohexadecyl)amino]-N-methyl-, methyl sulfate (salt)

inchi:
InChI=1/C49H101N4O7.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-48(58)52(38-45-56)35-41-53(3,42-46-57)40-34-50(36-43-54)32-33-51(37-44-55)39-47-60-49(59)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h54-57H,4-47H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 64346-67-4
dtxsid: DTXSID60886680
formula: C49H100N3O6
inchikey: JOEYVTUZTKUBSR-UHFFFAOYSA-M
norman_susdat_id: NS00053015
pubchem_cid: 163044
smiles: O=C(OCCN(CCO)CC[N+](C)(CCO)CCN(C(=O)CCCCCCCCCCCCCCCCC)CCO)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OC
name:
(2-hydroxyethyl)[2-[(2-hydroxyethyl)(stearoyl)amino]ethyl]-[2-[(2-hydroxyethyl)[2-(stearoyloxy)ethyl]amino]ethyl]methylammonium methyl sulphate

inchi:
InChI=1/C49H100N3O6.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-48(56)51(39-45-54)37-42-52(3,43-46-55)41-36-50(38-44-53)40-47-58-49(57)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h53-55H,4-47H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: Triethyl[2-(ethylphenylamino)ethyl]ammonium chloride
cas: 64346-68-5
dtxsid: DTXSID20886681
formula: C16H29N2
inchikey: RWPLMDVCLOGKGX-UHFFFAOYSA-M
norman_susdat_id: NS00052616
pubchem_cid: 116597
smiles: [Cl-].C=1C=CC(=CC1)N(CC)CC[N+](CC)(CC)CC
inchi:
InChI=1/C16H29N2.ClH/c1-5-17(16-12-10-9-11-13-16)14-15-18(6-2,7-3)8-4;/h9-13H,5-8,14-15H2,1-4H3;1H/q+1;/p-1


name: 9,10-Anthracenedione, 1,4-bis[(3-chlorophenyl)amino]-
cas: 64346-71-0
chemspiderid: 104242
dtxsid: DTXSID4070085
formula: C26H16Cl2N2O2
inchikey: UHYDAQBNVKNRJR-UHFFFAOYSA-N
norman_susdat_id: NS00035677
pubchem_cid: 116600
smiles: Clc1cc(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(Nc3cccc(Cl)c3)cc2)ccc1
inchi:
InChI=1S/C26H16Cl2N2O2/c27-15-5-3-7-17(13-15)29-21-11-12-22(30-18-8-4-6-16(28)14-18)24-23(21)25(31)19-9-1-2-10-20(19)26(24)32/h1-14,29-30H


name: Trisodium 2-[[4-[(4-amino-1-naphthyl)azo]-6-sulphonato-1-naphthyl]azo]benzene-1,4-disulphonate
cas: 64346-74-3
dtxsid: DTXSID00889832
formula: C26H19N5O9S3
inchikey: BVHZGFMQTFVPDR-UHFFFAOYSA-K
norman_susdat_id: NS00053098
pubchem_cid: 116602
inchi:
InChI=1/C26H19N5O9S3.3Na/c27-21-8-9-22(18-4-2-1-3-17(18)21)28-30-24-11-10-23(19-7-5-15(13-20(19)24)41(32,33)34)29-31-25-14-16(42(35,36)37)6-12-26(25)43(38,39)40;;;/h1-14H,27H2,(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C(N=NC2=CC=C(N=NC3=CC=C(N)C=4C=CC=CC34)C=5C=C(C=CC25)S(=O)(=O)[O-])=C1)S(=O)(=O)[O-]


cas: 64346-90-3
dtxsid: DTXSID90896616
formula: C9H7F13N2O4S
inchikey: OFGMYVUFKMFVRX-UHFFFAOYSA-N
norman_susdat_id: NS00053938
pubchem_cid: 116605
smiles: O=S(=O)(NCCN)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F
name:
N-(2-aminoethyl)-2-[1-[difluoro[(trifluorovinyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulphonamide

inchi:
InChI=1/C9H7F13N2O4S/c10-3(11)4(12)27-7(17,18)5(13,6(14,15)16)28-8(19,20)9(21,22)29(25,26)24-2-1-23/h24H,1-2,23H2


cas: 64346-91-4
dtxsid: DTXSID20897631
norman_susdat_id: NS00109826
name:
Ethanesulfonamide, N-(2-aminoethyl)-2-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-, polymer with 1,1,2,2-tetrafluoroethene


cas: 64346-93-6
formula: C94H179N5O4
inchikey: WADLXYIJPAJYHH-UHFFFAOYSA-N
norman_susdat_id: NS00053016
pubchem_cid: NA
name:
1-[2-[[2-[[2-[[2-[3-(dotetracontenyl)-2,5-dioxo-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(hexatriacontenyl)pyrrolidine-2,5-dione

inchi:
InChI=1/C94H179N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-41-42-43-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-90-88-92(101)99(94(90)103)86-84-97-82-80-95-79-81-96-83-85-98-91(100)87-89(93(98)102)77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h75-78,89-90,95-97H,3-74,79-88H2,1-2H3

smiles:
O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O


cas: 64346-95-8
formula: C96H183N5O4
inchikey: APKOUAUUROHZRD-UHFFFAOYSA-N
norman_susdat_id: NS00053017
pubchem_cid: NA
name:
1-[2-[[2-[[2-[[2-[2,5-dioxo-3-(tetratetracontenyl)-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(hexatriacontenyl)pyrrolidine-2,5-dione

inchi:
InChI=1/C96H183N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-41-42-43-44-45-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-80-92-90-94(103)101(96(92)105)88-86-99-84-82-97-81-83-98-85-87-100-93(102)89-91(95(100)104)79-77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h77-80,91-92,97-99H,3-76,81-90H2,1-2H3

smiles:
O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O


name: 1,1'-[iminobis(ethyleneiminoethylene)]bis[3-(octatriacontenyl)pyrrolidine-2,5-dione]
cas: 64346-97-0
formula: C92H175N5O4
inchikey: XUGWBWYRBSPNOV-UHFFFAOYSA-N
norman_susdat_id: NS00053939
pubchem_cid: 71439270
inchi:
InChI=1/C92H175N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-87-85-89(98)96(91(87)100)83-81-94-79-77-93-78-80-95-82-84-97-90(99)86-88(92(97)101)76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h73-76,87-88,93-95H,3-72,77-86H2,1-2H3

smiles:
O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O


cas: 64346-99-2
formula: C94H179N5O4
inchikey: HKNGFABQBJGTAI-UHFFFAOYSA-N
norman_susdat_id: NS00052617
pubchem_cid: NA
name:
1-[2-[[2-[[2-[[2-[2,5-dioxo-3-(tetracontenyl)-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(octatriacontenyl)pyrrolidine-2,5-dione

inchi:
InChI=1/C94H179N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-90-88-92(101)99(94(90)103)86-84-97-82-80-95-79-81-96-83-85-98-91(100)87-89(93(98)102)77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h75-78,89-90,95-97H,3-74,79-88H2,1-2H3

smiles:
O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O


cas: 64347-01-9
formula: C96H183N5O4
inchikey: OVPXOEFOIIUFPE-UHFFFAOYSA-N
norman_susdat_id: NS00053099
pubchem_cid: NA
name:
1-[2-[[2-[[2-[[2-[3-(dotetracontenyl)-2,5-dioxo-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(octatriacontenyl)pyrrolidine-2,5-dione

inchi:
InChI=1/C96H183N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-43-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-80-92-90-94(103)101(96(92)105)88-86-99-84-82-97-81-83-98-85-87-100-93(102)89-91(95(100)104)79-77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h77-80,91-92,97-99H,3-76,81-90H2,1-2H3

smiles:
O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O


cas: 64347-03-1
formula: C98H187N5O4
inchikey: MDMIGSHIEPEKDI-UHFFFAOYSA-N
norman_susdat_id: NS00053951
pubchem_cid: NA
name:
1-[2-[[2-[[2-[[2-[2,5-dioxo-3-(tetratetracontenyl)-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(octatriacontenyl)pyrrolidine-2,5-dione

inchi:
InChI=1/C98H187N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-43-44-45-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-80-82-94-92-96(105)103(98(94)107)90-88-101-86-84-99-83-85-100-87-89-102-95(104)91-93(97(102)106)81-79-77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h79-82,93-94,99-101H,3-78,83-92H2,1-2H3

smiles:
O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O


name: 1,1'-[iminobis(ethyleneiminoethylene)]bis[3-(tetracontenyl)pyrrolidine-2,5-dione]
cas: 64347-05-3
formula: C96H183N5O4
inchikey: APRDEJOMQSIOPN-UHFFFAOYSA-N
norman_susdat_id: NS00052618
pubchem_cid: 71439271
inchi:
InChI=1/C96H183N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-91-89-93(102)100(95(91)104)87-85-98-83-81-97-82-84-99-86-88-101-94(103)90-92(96(101)105)80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h77-80,91-92,97-99H,3-76,81-90H2,1-2H3

smiles:
O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O


name: 1,1'-[iminobis(ethyleneiminoethylene)]bis[3-(dotetracontenyl)pyrrolidine-2,5-dione]
cas: 64347-07-5
formula: C100H191N5O4
inchikey: MXKFBBTYWLHLFG-UHFFFAOYSA-N
norman_susdat_id: NS00052619
pubchem_cid: NA
inchi:
InChI=1/C100H191N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-95-93-97(106)104(99(95)108)91-89-102-87-85-101-86-88-103-90-92-105-98(107)94-96(100(105)109)84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h81-84,95-96,101-103H,3-80,85-94H2,1-2H3

smiles:
O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O


cas: 64347-09-7
dtxsid: DTXSID60982893
formula: C58H107N5O4
inchikey: KQSQBDWFRUWWJI-UHFFFAOYSA-N
norman_susdat_id: NS00053952
pubchem_cid: 174043
smiles: O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCC)C2=O
name:
1-[2-[[2-[[2-[[2-[2,5-dioxo-3-(tetracosenyl)-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(octadecenyl)pyrrolidine-2,5-dione

inchi:
InChI=1/C58H107N5O4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-42-54-52-56(65)63(58(54)67)50-48-61-46-44-59-43-45-60-47-49-62-55(64)51-53(57(62)66)41-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h39-42,53-54,59-61H,3-38,43-52H2,1-2H3


name: 1,1'-[iminobis(ethyleneiminoethylene)]bis[3-(icosenyl)pyrrolidine-2,5-dione]
cas: 64347-11-1
formula: C56H103N5O4
inchikey: DXBMNDQHRAYJOH-UHFFFAOYSA-N
norman_susdat_id: NS00053018
pubchem_cid: 71439272
smiles: O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCC)C2=O
inchi:
InChI=1/C56H103N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-51-49-53(62)60(55(51)64)47-45-58-43-41-57-42-44-59-46-48-61-54(63)50-52(56(61)65)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-40,51-52,57-59H,3-36,41-50H2,1-2H3


cas: 64347-13-3
formula: C58H107N5O4
inchikey: OUBQSVNUFDXXQE-UHFFFAOYSA-N
norman_susdat_id: NS00053953
pubchem_cid: NA
smiles: O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCC)C2=O
name:
1-[2-[[2-[[2-[[2-[3-(docosenyl)-2,5-dioxo-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(icosenyl)pyrrolidine-2,5-dione

inchi:
InChI=1/C58H107N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-54-52-56(65)63(58(54)67)50-48-61-46-44-59-43-45-60-47-49-62-55(64)51-53(57(62)66)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h39-42,53-54,59-61H,3-38,43-52H2,1-2H3


name: 3-(tetracosenyl)succinic anhydride
cas: 64347-15-5
formula: C28H50O3
inchikey: PBEZIOVQZJRKCA-UHFFFAOYSA-N
norman_susdat_id: NS00052620
pubchem_cid: NA
smiles: O=C1OC(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCC)C1
inchi:
InChI=1/C28H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-25-27(29)31-28(26)30/h23-24,26H,2-22,25H2,1H3


name: 3-(octatriacontenyl)succinic anhydride
cas: 64347-17-7
formula: C42H78O3
inchikey: QTKNUCNMQVSTLA-UHFFFAOYSA-N
norman_susdat_id: NS00053993
pubchem_cid: 57358399
smiles: O=C1OC(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1
inchi:
InChI=1/C42H78O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-39-41(43)45-42(40)44/h37-38,40H,2-36,39H2,1H3


name: 3-(tetracontenyl)succinic anhydride
cas: 64347-19-9
formula: C44H82O3
inchikey: ZNYCPBFTOPTDTG-UHFFFAOYSA-N
norman_susdat_id: NS00053062
pubchem_cid: 71439273
smiles: O=C1OC(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1
inchi:
InChI=1/C44H82O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-41-43(45)47-44(42)46/h39-40,42H,2-38,41H2,1H3


cas: 64347-21-3
formula: C92H175N5O4
inchikey: CFPXYPVVBUPQNQ-UHFFFAOYSA-N
norman_susdat_id: NS00052669
pubchem_cid: NA
name:
1-[2-[[2-[[2-[[2-[2,5-dioxo-3-(tetracontenyl)-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(hexatriacontenyl)pyrrolidine-2,5-dione

inchi:
InChI=1/C92H175N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-88-86-90(99)97(92(88)101)84-82-95-80-78-93-77-79-94-81-83-96-89(98)85-87(91(96)100)75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h73-76,87-88,93-95H,3-72,77-86H2,1-2H3

smiles:
O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O


name: 2-chloro-5-[[5-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]-o-tolyl]azo]benzenesulphonic acid
cas: 64349-27-5
formula: C23H17ClN4O5S
inchikey: JFYIMTOUBJATMJ-UHFFFAOYSA-N
norman_susdat_id: NS00086986
smiles: O=S(O)(=O)c1cc(ccc1Cl)N=Nc4cc(O)c(N=Nc2c3ccccc3ccc2O)cc4C
inchi:
InChI=1/C23H17ClN4O5S/c1-13-10-19(27-28-23-16-5-3-2-4-14(16)6-9-20(23)29)21(30)12-18(13)26-25-15-7-8-17(24)22(11-15)34(31,32)33/h2-12,29-30H,1H3,(H,31,32,33)


name: 5-acetyl-4-hydroxy-3-[1-[(4-hydroxy-3-nitrophenyl)amino]ethylidene]-2H-pyran-2,6(3H)-dione
cas: 64353-90-8
formula: C15H13N2O8
inchikey: YISMUFHDXREUIZ-UHFFFAOYSA-N
norman_susdat_id: NS00052670
pubchem_cid: NA
smiles: O=C1OC(=O)C(C(O)=C1C(=O)C)=C(NC2=CC=C(O)C(=C2)[N+](=O)[O-])C
inchi:
InChI=1/C15H12N2O8/c1-6(16-8-3-4-10(19)9(5-8)17(23)24)11-13(20)12(7(2)18)15(22)25-14(11)21/h3-5,16,19-20H,1-2H3


cas: 64353-91-9
formula: C15H14N2O6
inchikey: SZIVIUGZEGATTN-UHFFFAOYSA-N
norman_susdat_id: NS00052671
pubchem_cid: NA
smiles: Cl.O=C1OC(=O)C(C(O)=C1C(=O)C)=C(NC2=CC=C(O)C(N)=C2)C
name:
5-acetyl-3-[1-[(3-amino-4-hydroxyphenyl)amino]ethylidene]-4-hydroxy-2H-pyran-2,6(3H)-dione monohydrochloride

inchi:
InChI=1/C15H14N2O6.ClH/c1-6(17-8-3-4-10(19)9(16)5-8)11-13(20)12(7(2)18)15(22)23-14(11)21;/h3-5,17,19-20H,16H2,1-2H3;1H


cas: 64365-62-4
formula: C98H187N5O4
inchikey: NWWJZFVFMYPBAA-UHFFFAOYSA-N
norman_susdat_id: NS00052686
pubchem_cid: NA
name:
1-[2-[[2-[[2-[[2-[2,5-dioxo-3-(tetracontenyl)-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(dotetracontenyl)pyrrolidine-2,5-dione

inchi:
InChI=1/C98H187N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-80-82-94-92-96(105)103(98(94)107)90-88-101-86-84-99-83-85-100-87-89-102-95(104)91-93(97(102)106)81-79-77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h79-82,93-94,99-101H,3-78,83-92H2,1-2H3

smiles:
O=C1N(C(=O)C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1)CCNCCNCCNCCN2C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C2=O


cas: 64365-65-7
chemspiderid: 104249
dtxsid: DTXSID9070088
formula: C23H24Cl2N2O1
inchikey: ZKGNNLGZTFBGLG-UHFFFAOYSA-N
norman_susdat_id: NS00035678
pubchem_cid: 116608
smiles: Cc1cc(cc(C)c1N)C(O)(c1cc(C)c(N)c(C)c1)c1c(Cl)cccc1Cl
name:
Benzenemethanol, 4-amino-.alpha.-(4-amino-3,5-dimethylphenyl)-.alpha.-(2,6-dichlorophenyl)-3,5-dimethyl-

inchi:
InChI=1S/C23H24Cl2N2O/c1-12-8-16(9-13(2)21(12)26)23(28,20-18(24)6-5-7-19(20)25)17-10-14(3)22(27)15(4)11-17/h5-11,28H,26-27H2,1-4H3


name: Citalopram amide
cas: 64372-56-1
chemspiderid: 8369015
dtxsid: DTXSID10881084
formula: C20H23F1N2O2
inchikey: LYYWQJNKWCANAC-UHFFFAOYSA-N
norman_susdat_id: NS00014625
pubchem_cid: 10193515
smiles: CN(CCCC1(OCc2c1ccc(c2)C(=O)N)c1ccc(cc1)F)C
inchi:
InChI=1S/C20H23FN2O2/c1-23(2)11-3-10-20(16-5-7-17(21)8-6-16)18-9-4-14(19(22)24)12-15(18)13-25-20/h4-9,12H,3,10-11,13H2,1-2H3,(H2,22,24)


name: Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate
cas: 64381-99-3
chemspiderid: 58728
dtxsid: DTXSID8070091
formula: C28H31N2O3
inchikey: RWYDZCISLBOUMH-UHFFFAOYSA-N
norman_susdat_id: NS00019404
pubchem_cid: 65230
smiles: CC(=O)[O-].CCN(CC)c1cc2[o+]c3c(ccc(c3)N(CC)CC)c(c2cc1)c1c(cccc1)C(=O)O
inchi:
InChI=1S/C28H31N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3,(H,31,32)/q+1


name: 2(1H)-Quinolinone, 4-hydroxy-1-methyl-3-[(3-nitrophenyl)azo]-
cas: 6439-53-8
chemspiderid: 4828391
dtxsid: DTXSID3064358
formula: C16H12N4O4
inchikey: XXSLVBDPACXUDO-UHFFFAOYSA-N
norman_susdat_id: NS00021308
pubchem_cid: NA
smiles: CN1C(=O)/C(=NNc2cc(ccc2)[N+](=O)[O-])/C(=O)c2ccccc12
inchi:
InChI=1S/C16H12N4O4/c1-19-13-8-3-2-7-12(13)15(21)14(16(19)22)18-17-10-5-4-6-11(9-10)20(23)24/h2-9,17H,1H3/b18-14-


name: Tributylhexadecylammonium bromide
cas: 6439-67-4
dtxsid: DTXSID00982938
formula: C28H60N
inchikey: ANRASKQFUDPONQ-UHFFFAOYSA-M
norman_susdat_id: NS00047262
pubchem_cid: 11420451
smiles: [Br-].CCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC
inchi:
InChI=1/C28H60N.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1


name: 8,13-diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid
cas: 644-00-8
formula: C31H40N4O2
inchikey: NSXVDZURLRNNNB-UHFFFAOYSA-N
norman_susdat_id: NS00042598
pubchem_cid: 69001389
smiles: O=C(O)CCC=1C2=NC(=CC3=NC(=CC4=NC(=CC5=NC(=C2)C=C5C)C(=C4C)CC)C(=C3C)CC)C1C
inchi:
InChI=1/C31H32N4O2/c1-7-21-18(5)27-15-30-22(8-2)17(4)25(34-30)14-26-19(6)23(9-10-31(36)37)28(33-26)12-20-11-16(3)24(32-20)13-29(21)35-27/h11-15H,7-10H2,1-6H3,(H,36,37)


name: Benzamide, N,N'-1,2-ethanediylbis-
cas: 644-33-7
chemspiderid: 62723
dtxsid: DTXSID4060943
formula: C16H16N2O2
inchikey: NWGGAHDZCNJXJA-UHFFFAOYSA-N
norman_susdat_id: NS00035698
pubchem_cid: 69518
smiles: O=C(NCCNC(=O)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C16H16N2O2/c19-15(13-7-3-1-4-8-13)17-11-12-18-16(20)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)


cas: 64401-02-1
norman_susdat_id: NS00075890
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(1-methylethylidene)di-4,1-phenylene]bis[.omega.-[(1-oxo-2-propen-1-yl)oxy]-


name: Magnesium L-glutamate (1:1)
cas: 64407-99-4
formula: C5H9NO4.Mg
inchikey: NHLYGGRMRBRTOE-LHWPGRLPSA-L
norman_susdat_id: NS00086314
smiles: [MgH2].N[C@@H](CCC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C5H9NO4.Mg.2H/c6-3(5(9)10)1-2-4(7)8;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;;/q;+2;;/p-2/rC5H9NO4.H2Mg/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H2/q;+2/p-2


name: Sodium 2,6-bis[(2,4-diaminophenyl)azo]toluene-4-sulphonate
cas: 6441-66-3
formula: C19H20N8O3S
inchikey: ODZGTLPZEBZJSP-UHFFFAOYSA-M
norman_susdat_id: NS00047263
pubchem_cid: 3014492
smiles: [Na+].O=S(=O)([O-])C1=CC(N=NC2=CC=C(N)C=C2N)=C(C(N=NC3=CC=C(N)C=C3N)=C1)C
inchi:
InChI=1/C19H20N8O3S.Na/c1-10-18(26-24-16-4-2-11(20)6-14(16)22)8-13(31(28,29)30)9-19(10)27-25-17-5-3-12(21)7-15(17)23;/h2-9H,20-23H2,1H3,(H,28,29,30);/q;+1/p-1


name: 3,6-diamino-2,7,10-trimethylacridinium chloride
cas: 6441-73-2
formula: C16H18N3
inchikey: ADAOOVVYDLASGJ-UHFFFAOYSA-N
norman_susdat_id: NS00045991
pubchem_cid: 38475
smiles: [Cl-].NC=1C=C2C(C=C3C=C(C(N)=CC3=[N+]2C)C)=CC1C
inchi:
InChI=1/C16H17N3.ClH/c1-9-4-11-6-12-5-10(2)14(18)8-16(12)19(3)15(11)7-13(9)17;/h4-8H,1-3H3,(H3,17,18);1H


name: CI 45405
cas: 6441-77-6
chemspiderid: 21484
formula: C20H6Br4Cl2O5
inchikey: XOSAHGWVGLNMBK-UHFFFAOYSA-N
norman_susdat_id: NS00013516
pubchem_cid: 22949
smiles: [K+].[K+].[O-]c1c(Br)cc2c(Oc3c(Br)c([O-])c(Br)cc3C24OC(=O)c5c(Cl)ccc(Cl)c45)c1Br
inchi:
InChI=1S/C20H6Br4Cl2O5.2K/c21-7-3-5-17(13(23)15(7)27)30-18-6(4-8(22)16(28)14(18)24)20(5)12-10(26)2-1-9(25)11(12)19(29)31-20;;/h1-4,27-28H;;/q;2*+1/p-2


name: 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 6441-82-3
dtxsid: DTXSID90884311
formula: C24H30ClN2
inchikey: JQZWHMOVSQRYRN-UHFFFAOYSA-M
norman_susdat_id: NS00047277
pubchem_cid: NA
smiles: [Cl-].ClCCN(C1=CC=C(C=CC2=[N+](C=3C=CC=CC3C2(C)C)C)C(=C1)C)CC
inchi:
InChI=1/C24H30ClN2.ClH/c1-6-27(16-15-25)20-13-11-19(18(2)17-20)12-14-23-24(3,4)21-9-7-8-10-22(21)26(23)5;/h7-14,17H,6,15-16H2,1-5H3;1H/q+1;/p-1


cas: 6441-84-5
formula: C30H33N2O3
inchikey: GCHIRZGRNVQRML-UHFFFAOYSA-N
norman_susdat_id: NS00047278
pubchem_cid: NA
smiles: [Cl-].O=C(OC)C=1C=CC2=C(C1)C(C(C=CC3=CC=C(C=C3)NCC4=CC=C(OCC)C=C4)=[N+]2C)(C)C
name:
2-[2-[4-[(4-ethoxyphenyl)methylamino]phenyl]vinyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indolium chloride

inchi:
InChI=1/C30H32N2O3.ClH/c1-6-35-25-15-9-22(10-16-25)20-31-24-13-7-21(8-14-24)11-18-28-30(2,3)26-19-23(29(33)34-5)12-17-27(26)32(28)4;/h7-19H,6,20H2,1-5H3;1H


name: N-[6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-ylidene]-N,N-dimethylammonium chloride
cas: 6441-88-9
dtxsid: DTXSID50884312
formula: C23H20NO4
inchikey: VNIQYTQIXRDCTR-UHFFFAOYSA-N
norman_susdat_id: NS00047292
pubchem_cid: 80912
smiles: [Cl-].O=C(OC)C=1C=CC=CC1C=2C=3C=CC(O)=CC3OC4=CC(C=CC42)=[N+](C)C
inchi:
InChI=1/C23H19NO4.ClH/c1-24(2)14-8-10-18-20(12-14)28-21-13-15(25)9-11-19(21)22(18)16-6-4-5-7-17(16)23(26)27-3;/h4-13H,1-3H3;1H


name: Disodium 6-amino-4-hydroxy-5-[(4-nitro-2-sulphonatophenyl)azo]naphthalene-2-sulphonate
cas: 6441-91-4
dtxsid: DTXSID8064359
formula: C16H13N4O9S2
inchikey: ARZVLGVDYAMAFX-UHFFFAOYSA-L
norman_susdat_id: NS00046758
pubchem_cid: 135764771
smiles: [Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]
inchi:
InChI=1/C16H12N4O9S2.2Na/c17-11-3-1-8-5-10(30(24,25)26)7-13(21)15(8)16(11)19-18-12-4-2-9(20(22)23)6-14(12)31(27,28)29;;/h1-7,21H,17H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[(2-methylphenyl)azo]-, disodium salt
cas: 6441-93-6
dtxsid: DTXSID7064360
formula: C19H17N3O8S2
inchikey: LGWXIBBJZQOXSO-UHFFFAOYSA-L
norman_susdat_id: NS00046688
pubchem_cid: 80917
smiles: [Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC=3C=CC=CC3C)C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C
inchi:
InChI=1/C19H17N3O8S2.2Na/c1-10-5-3-4-6-14(10)21-22-18-16(32(28,29)30)8-12-7-13(31(25,26)27)9-15(20-11(2)23)17(12)19(18)24;;/h3-9,24H,1-2H3,(H,20,23)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


name: Disodium 4-hydroxy-3-[(4-nitrophenyl)azo]-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate
cas: 6441-94-7
dtxsid: DTXSID90889548
formula: C23H19N4O11S3
inchikey: KCFUJWVLRDYRAK-UHFFFAOYSA-L
norman_susdat_id: NS00045992
pubchem_cid: 165487
inchi:
InChI=1/C23H18N4O11S3.2Na/c1-13-2-8-17(9-3-13)39(31,32)26-19-12-18(40(33,34)35)10-14-11-20(41(36,37)38)22(23(28)21(14)19)25-24-15-4-6-16(7-5-15)27(29)30;;/h2-12,26,28H,1H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(O)=C3C(C=C(C=C3NS(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])C=C1


name: Sodium 3-[(8-acetamido-2-hydroxy-1-naphthyl)azo]-5-chloro-2-hydroxybenzenesulphonate
cas: 6441-96-9
formula: C18H14ClN3O6S
inchikey: VMGPESHNHVBCDP-UHFFFAOYSA-M
norman_susdat_id: NS00047293
pubchem_cid: 80919
smiles: [Na+].O=C(NC=1C=CC=C2C=CC(O)=C(N=NC3=CC(Cl)=CC(=C3O)S(=O)(=O)[O-])C21)C
inchi:
InChI=1/C18H14ClN3O6S.Na/c1-9(23)20-12-4-2-3-10-5-6-14(24)17(16(10)12)22-21-13-7-11(19)8-15(18(13)25)29(26,27)28;/h2-8,24-25H,1H3,(H,20,23)(H,26,27,28);/q;+1/p-1


name: Sodium 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxybenzenesulphonate
cas: 6441-98-1
formula: C16H14N4O5S
inchikey: NGDUADGCPAWJIG-UHFFFAOYSA-M
norman_susdat_id: NS00045993
pubchem_cid: 3014496
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2O)S(=O)(=O)[O-])C=3C=CC=CC3
inchi:
InChI=1/C16H14N4O5S.Na/c1-10-15(16(22)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(26(23,24)25)7-8-14(13)21;/h2-9,15,21H,1H3,(H,23,24,25);/q;+1/p-1


name: Ethyl 4-chloro-2-[4-(fluorosulphonyl)phenyl]quinoline-6-carboxylate
cas: 64415-12-9
dtxsid: DTXSID10982989
formula: C18H13ClFNO4S
inchikey: IAEGOMJZXABRBV-UHFFFAOYSA-N
norman_susdat_id: NS00053183
pubchem_cid: 97450
smiles: O=C(OCC)C=1C=CC=2N=C(C=C(Cl)C2C1)C=3C=CC(=CC3)S(=O)(=O)F
inchi:
InChI=1/C18H13ClFNO4S/c1-2-25-18(22)12-5-8-16-14(9-12)15(19)10-17(21-16)11-3-6-13(7-4-11)26(20,23)24/h3-10H,2H2,1H3


name: 4-Phenyl-5-tetradecylthiazol-2-amine
cas: 64415-14-1
chemspiderid: 65988
dtxsid: DTXSID50214670
formula: C23H36N2S1
inchikey: WYDPIVMKULHMBF-UHFFFAOYSA-N
norman_susdat_id: NS00035692
pubchem_cid: 73234
smiles: CCCCCCCCCCCCCCc1c(nc(N)s1)c1ccccc1
inchi:
InChI=1S/C23H36N2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-21-22(25-23(24)26-21)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3,(H2,24,25)


name: 4-Aminosulphonyl-1-hydroxy-2-naphthoic acid
cas: 64415-15-2
chemspiderid: 87934
dtxsid: DTXSID10214671
formula: C11H9N1O5S1
inchikey: OTDVKOVLSPJORY-UHFFFAOYSA-N
norman_susdat_id: NS00035693
pubchem_cid: 97423
smiles: NS(=O)(=O)c1c2ccccc2c(O)c(c1)C(=O)O
inchi:
InChI=1S/C11H9NO5S/c12-18(16,17)9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)(H2,12,16,17)


cas: 6442-00-8
dtxsid: DTXSID50889549
formula: C24H17N5O9S3
inchikey: NYNDYBLXCWXHKE-UHFFFAOYSA-K
norman_susdat_id: NS00046759
pubchem_cid: 110853
name:
Trisodium 4,5-dihydro-4-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C24H17N5O9S3.3Na/c1-12-2-11-17-20(21(12)41(36,37)38)39-22(25-17)13-3-5-14(6-4-13)26-27-18-19(24(31)32)28-29(23(18)30)15-7-9-16(10-8-15)40(33,34)35;;;/h2-11,18H,1H3,(H,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC=C(C=C2)C3=NC=4C=CC(=C(C4S3)S(=O)(=O)[O-])C)C5=CC=C(C=C5)S(=O)(=O)[O-]


name: Benzenamine, 4,4'-cyclohexylidenebis[2-methyl-
cas: 6442-08-6
chemspiderid: 73025
dtxsid: DTXSID7064362
formula: C20H26N2
inchikey: CGEPGDQNCRDJHS-UHFFFAOYSA-N
norman_susdat_id: NS00035694
pubchem_cid: 80920
smiles: Cc1c(N)ccc(c1)C1(CCCCC1)c1cc(C)c(N)cc1
inchi:
InChI=1S/C20H26N2/c1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17/h6-9,12-13H,3-5,10-11,21-22H2,1-2H3


name: 4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-nitroaniline
cas: 64420-30-0
dtxsid: DTXSID30214673
formula: C15H14FN2O4
inchikey: ISYYBUVYPKLKIJ-UHFFFAOYSA-N
norman_susdat_id: NS00052727
pubchem_cid: 6454886
smiles: O=[N+]([O-])C1=CC(=CC=C1N)C2(OCCO2)C3=CC=C(F)C=C3
inchi:
InChI=1/C15H13FN2O4/c16-12-4-1-10(2-5-12)15(21-7-8-22-15)11-3-6-13(17)14(9-11)18(19)20/h1-6,9H,7-8,17H2


name: 4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]benzene-1,2-diamine
cas: 64420-52-6
dtxsid: DTXSID90214674
formula: C15H15FN2O2
inchikey: VPEMAAMGKQQPEH-UHFFFAOYSA-N
norman_susdat_id: NS00052728
pubchem_cid: 6454887
smiles: FC1=CC=C(C=C1)C2(OCCO2)C3=CC=C(N)C(N)=C3
inchi:
InChI=1/C15H15FN2O2/c16-12-4-1-10(2-5-12)15(19-7-8-20-15)11-3-6-13(17)14(18)9-11/h1-6,9H,7-8,17-18H2


name: Tribenzylphenol
cas: 64423-52-5
dtxsid: DTXSID80982996
formula: C27H24O
inchikey: XDESGXRLUIHEJT-UHFFFAOYSA-N
norman_susdat_id: NS00053132
pubchem_cid: 3017521
smiles: OC1=CC=C(C(=C1CC=2C=CC=CC2)CC=3C=CC=CC3)CC=4C=CC=CC4
inchi:
InChI=1/C27H24O/c28-27-17-16-24(18-21-10-4-1-5-11-21)25(19-22-12-6-2-7-13-22)26(27)20-23-14-8-3-9-15-23/h1-17,28H,18-20H2


name: N-(chlorodimethylsilyl)-N'-(chlorodiphenylsilyl)-1,1-dimethylsilanediamine
cas: 64426-36-4
dtxsid: DTXSID8070095
formula: C16H24Cl2N2Si3
inchikey: FPHWQPBEALKMAP-UHFFFAOYSA-N
norman_susdat_id: NS00052729
pubchem_cid: 116616
smiles: Cl[Si](N[Si](N[Si](Cl)(C)C)(C)C)(C=1C=CC=CC1)C=2C=CC=CC2
inchi:
InChI=1/C16H24Cl2N2Si3/c1-21(2,17)19-22(3,4)20-23(18,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,19-20H,1-4H3


name: 3,7-dimethyloct-6-enyl 5-oxo-DL-prolinate
cas: 64431-70-5
dtxsid: DTXSID60983002
formula: C15H25NO3
inchikey: IPCMWVOBEOLDAO-ABLWVSNPSA-N
norman_susdat_id: NS00053230
pubchem_cid: 20841983
smiles: O=C(OCCC(C)CCC=C(C)C)C1NC(=O)CC1
inchi:
InChI=1/C15H25NO3/c1-11(2)5-4-6-12(3)9-10-19-15(18)13-7-8-14(17)16-13/h5,12-13H,4,6-10H2,1-3H3,(H,16,17)


name: 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 5-oxo-DL-prolinate
cas: 64431-71-6
dtxsid: DTXSID20983003
formula: C15H23NO3
inchikey: XODDLQGGEAGBHB-JYWPOGKJSA-N
norman_susdat_id: NS00052730
pubchem_cid: 22840759
smiles: O=C1NC(C(=O)OC2CC3CCC2(C)C3(C)C)CC1
inchi:
InChI=1/C15H23NO3/c1-14(2)9-6-7-15(14,3)11(8-9)19-13(18)10-4-5-12(17)16-10/h9-11H,4-8H2,1-3H3,(H,16,17)


name: (E)-3,7-dimethylocta-2,6-dienyl 5-oxo-DL-prolinate
cas: 64431-72-7
formula: C15H23NO3
inchikey: FFPMVCGLQVJUJY-SRXBQZRASA-N
norman_susdat_id: NS00053134
pubchem_cid: 22840764
smiles: O=C(OCC=C(C)CCC=C(C)C)C1NC(=O)CC1
inchi:
InChI=1/C15H23NO3/c1-11(2)5-4-6-12(3)9-10-19-15(18)13-7-8-14(17)16-13/h5,9,13H,4,6-8,10H2,1-3H3,(H,16,17)


name: Potassium tetradecyl hydrogen phosphate
cas: 64431-74-9
formula: C14H31O4P.K
inchikey: FRZFGZORTBOVCV-UHFFFAOYSA-M
norman_susdat_id: NS00086031
smiles: [K+].OP([O-])(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1/C14H31O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H2,15,16,17);/q;+1/p-1


name: 3,3,15,15-tetramethoxy-2,16-dioxa-7,8,9,10,11-pentathia-3,15-disilaheptadecane
cas: 64435-09-2
dtxsid: DTXSID40214689
formula: C12H30O6S5Si2
inchikey: DMFBQMAXLPTYBP-UHFFFAOYSA-N
norman_susdat_id: NS00053231
pubchem_cid: 6454892
smiles: O(C)[Si](OC)(OC)CCCSSSSSCCC[Si](OC)(OC)OC
inchi:
InChI=1/C12H30O6S5Si2/c1-13-24(14-2,15-3)11-7-9-19-21-23-22-20-10-8-12-25(16-4,17-5)18-6/h7-12H2,1-6H3


cas: 64474-06-2
formula: C3HCl2N3O3.1/4C3Cl3N3O3.K
inchikey: NSUYGRHTCQVYET-UHFFFAOYSA-N
norman_susdat_id: NS00086032
name:
1,3,5-trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, compound with 1,3-dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, potassium salt (1:4)

inchi:
InChI=1/C3Cl3N3O3.4C3HCl2N3O3.4K/c4-7-1(10)8(5)3(12)9(6)2(7)11;4*4-7-1(9)6-2(10)8(5)3(7)11;;;;/h;4*(H,6,9,10);;;;/q;;;;;4*+1

smiles:
[K+].[K+].[K+].[K+].ClN1C(=O)NC(=O)N(Cl)C1=O.ClN2C(=O)NC(=O)N(Cl)C2=O.ClN3C(=O)NC(=O)N(Cl)C3=O.ClN4C(=O)NC(=O)N(Cl)C4=O.ClN5C(=O)N(Cl)C(=O)N(Cl)C5=O


name: C.I. Pigment Red 22
cas: 6448-95-9
dtxsid: DTXSID1052329
formula: C24H19N4O4
inchikey: XYZMEPHFXJHGIX-UHFFFAOYSA-N
norman_susdat_id: NS00046704
pubchem_cid: 80925
smiles: O=C(NC=1C=CC=CC1)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4C)[N+](=O)[O-])=C2O
inchi:
InChI=1/C24H18N4O4/c1-15-11-12-18(28(31)32)14-21(15)26-27-22-19-10-6-5-7-16(19)13-20(23(22)29)24(30)25-17-8-3-2-4-9-17/h2-14,29H,1H3,(H,25,30)


name: C.I. Pigment Red 31
cas: 6448-96-0
chemspiderid: 7850379
dtxsid: DTXSID2064365
formula: C31H23N5O6
inchikey: GLZGTQYOWXFUNZ-UHFFFAOYSA-N
norman_susdat_id: NS00020444
pubchem_cid: NA
smiles: COc1c(N/N=C/2C(=O)C(=Cc3ccccc23)C(=O)Nc2cc(ccc2)[N+](=O)[O-])cc(cc1)C(=O)Nc1ccccc1
inchi:
InChI=1S/C31H23N5O6/c1-42-27-15-14-20(30(38)32-21-9-3-2-4-10-21)17-26(27)34-35-28-24-13-6-5-8-19(24)16-25(29(28)37)31(39)33-22-11-7-12-23(18-22)36(40)41/h2-18,34H,1H3,(H,32,38)(H,33,39)/b35-28-


name: Glycoursodeoxycholic acid
cas: 64480-66-6
chebiid: CHEBI:89929
chemspiderid: 25982
formula: C26H43N1O5
inchikey: GHCZAUBVMUEKKP-XROMFQGDSA-N
norman_susdat_id: NS00015130
pubchem_cid: 12310288
smiles: O=C(O)CNC(=O)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)CC2)C)CC3)CC4)C)C
inchi:
InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1


cas: 64484-88-4
dtxsid: DTXSID0070100
formula: C34H25Cl2N5O6
inchikey: QLIKMYHDFVXMAH-UHFFFAOYSA-N
norman_susdat_id: NS00054035
pubchem_cid: NA
smiles: O=C(OC)C1=CC=C(C=C1N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC4=CC=C(C=C4)NC(=O)C)C(=O)NC=5C=CC=C(Cl)C5Cl
name:
Methyl 2-[[3-[[[4-(acetylamino)phenyl]amino]carbonyl]-2-hydroxy-1-naphthyl]azo]-4-[[(2,3-dichlorophenyl)amino]carbonyl]benzoate

inchi:
InChI=1/C34H25Cl2N5O6/c1-18(42)37-21-11-13-22(14-12-21)38-33(45)25-16-19-6-3-4-7-23(19)30(31(25)43)41-40-28-17-20(10-15-24(28)34(46)47-2)32(44)39-27-9-5-8-26(35)29(27)36/h3-17,43H,1-2H3,(H,37,42)(H,38,45)(H,39,44)


cas: 64485-21-8
formula: C47H57ClF3N5O6S
inchikey: QCTQTJNTOCQOJL-UHFFFAOYSA-N
norman_susdat_id: NS00053233
pubchem_cid: NA
name:
2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-[[4-(hexadecylsulphonyl)phenyl]amino]-2,4-dihydro-4-[[4-(2-phenoxyethoxy)phenyl]azo]-3H-pyrazol-3-one

inchi:
InChI=1/C47H57ClF3N5O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-35-63(58,59)40-31-27-36(28-32-40)52-44-43(45(57)56(55-44)41-23-18-19-24-42(41)62-47(50,51)46(48)49)54-53-37-25-29-39(30-26-37)61-34-33-60-38-21-16-15-17-22-38/h15-19,21-32,43,46H,2-14,20,33-35H2,1H3,(H,52,55)

smiles:
O=C1N(N=C(NC2=CC=C(C=C2)S(=O)(=O)CCCCCCCCCCCCCCCC)C1N=NC3=CC=C(OCCOC=4C=CC=CC4)C=C3)C=5C=CC=CC5OC(F)(F)C(F)Cl


name: Ethyl (Z)-a-(methoxyimino)-2-(tritylamino)thiazol-4-acetate
cas: 64485-89-8
formula: C27H25N3O3S
inchikey: HZUYVNWQSAISMN-KRUMMXJUSA-N
norman_susdat_id: NS00053139
pubchem_cid: 6005279
smiles: O=C(OCC)C(=NOC)C=1N=C(SC1)NC(C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C27H25N3O3S/c1-3-33-25(31)24(30-32-2)23-19-34-26(28-23)29-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3,(H,28,29)


name: (Z)-2-(Methoxyimino)-2-(2-(tritylamino)thiazol-4-yl)acetic acid
cas: 64485-90-1
chemspiderid: 4752008
formula: C25H21N3O3S1
inchikey: PKPGSMOHYWOGJR-SLMZUGIISA-N
norman_susdat_id: NS00022620
pubchem_cid: 5928144
smiles: CON=C(C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O
inchi:
InChI=1S/C25H21N3O3S/c1-31-28-22(23(29)30)21-17-32-24(26-21)27-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,26,27)(H,29,30)/b28-22-


name: Cefotaxime sodium
cas: 64485-93-4
dtxsid: DTXSID4046991
formula: C16H16N5NaO7S2
inchikey: AZZMGZXNTDTSME-AAUIGXPGSA-M
norman_susdat_id: NS00076313
smiles: [Na+].CON=C(C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
inchi:
InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9+;/t10-,14-;/m1./s1


name: (2Z)-{2-[(Chloroacetyl)amino]-1,3-thiazol-4-yl}(methoxyimino)acetic acid
cas: 64486-18-6
chemspiderid: 4725153
dtxsid: DTXSID1057791
formula: C8H8Cl1N3O4S1
inchikey: JVFVSVLCXCDOPD-SDQBBNPISA-N
norman_susdat_id: NS00035702
pubchem_cid: 5858790
smiles: CO/N=C(C(=O)O)/c1csc(NC(=O)CCl)n1
inchi:
InChI=1S/C8H8ClN3O4S/c1-16-12-6(7(14)15)4-3-17-8(10-4)11-5(13)2-9/h3H,2H2,1H3,(H,14,15)(H,10,11,13)/b12-6-


cas: 6449-35-0
dtxsid: DTXSID2064367
formula: C34H27N5O10S2
inchikey: PHBXSOKXCTZJBO-UHFFFAOYSA-L
norman_susdat_id: NS00045996
pubchem_cid: 22954
name:
Disodium 3-[[4'-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-1-sulphonate

inchi:
InChI=1/C34H27N5O10S2.2Na/c1-48-28-14-18(7-11-25(28)36-38-27-17-30(50(42,43)44)23-5-3-4-6-24(23)33(27)40)19-8-12-26(29(15-19)49-2)37-39-32-31(51(45,46)47)16-20-13-21(35)9-10-22(20)34(32)41;;/h3-17,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=C2C=C(N)C=CC2=C(O)C1N=NC3=CC=C(C=C3OC)C4=CC=C(N=NC=5C=C(C=6C=CC=CC6C5O)S(=O)(=O)[O-])C(OC)=C4


cas: 64493-21-6
formula: C53H72N2O12.2I
inchikey: YJIYHDCQNHBGDU-UHFFFAOYSA-L
norman_susdat_id: NS00086653
name:
2,2'-[1,5-pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium] diiodide

inchi:
InChI=1/C53H72N2O12.2HI/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;;/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1H/q+2;;/p-2

smiles:
[I-].[I-].COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC


cas: 644965-83-3
dtxsid: DTXSID70882719
norman_susdat_id: NS00111322
name:
1,3-Butanediol, polymer with 1,3-diisocyanatomethylbenzene and 2-ethyl-2-(hydroxy-methyl)-1,3-propanediol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decanol- and Me Et ketoneoxime-blocked


name: Zierin
cas: 645-02-3
chebiid: CHEBI:10111
chemspiderid: 390197
dtxsid: DTXSID80214744
formula: C14H17NO7
inchikey: KCVXNPDAHDGXFD-YOVYLDAJSA-N
norman_susdat_id: NS00094806
pubchem_cid: 441473
smiles: OC[C@H]1O[C@@H](O[C@H](C#N)C2=CC(O)=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C14H17NO7/c15-5-9(7-2-1-3-8(17)4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1


name: Bis(4-nitrophenyl) hydrogen phosphate
cas: 645-15-8
chebiid: CHEBI:3122
formula: C12H9N2O8P
inchikey: MHSVUSZEHNVFKW-UHFFFAOYSA-N
norman_susdat_id: NS00079678
smiles: OP(=O)(Oc1ccc(cc1)[N+](=O)[O-])Oc2ccc(cc2)[N+](=O)[O-]
inchi:
InChI=1/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)


name: Aluminium trilinoleate
cas: 645-17-0
formula: C18H32O2.1/3Al
inchikey: BEQTZCISVVHICR-VLKMOBIUSA-K
norman_susdat_id: NS00079679
inchi:
InChI=1/3C18H32O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3

smiles:
[Al+3].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-]


name: Lauroyl anhydride
cas: 645-66-9
chebiid: CHEBI:132849
chemspiderid: 62731
dtxsid: DTXSID10214752
formula: C24H46O3
inchikey: NWADXBLMWHFGGU-UHFFFAOYSA-N
norman_susdat_id: NS00035717
pubchem_cid: 69527
smiles: CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C24H46O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3


name: Mercury distearate
cas: 645-99-8
formula: C18H36O2.1/2Hg
inchikey: RRFMRVBJWLMSAB-UHFFFAOYSA-L
norman_susdat_id: NS00079686
smiles: [Hg+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H36O2.Hg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2


name: Nicotinic acid adenine dinucleotide
cas: 6450-77-7
chebiid: CHEBI:14105
chemspiderid: 608
formula: C21H27N6O15P2
inchikey: SENPVEZBRZQVST-HISDBWNOSA-N
norman_susdat_id: NS00015048
pubchem_cid: NA
smiles: O=C(O)c1ccc[n+](c1)C2OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5O
inchi:
InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1


name: Tris(2-hydroxyethyl)ammonium hexyl sulphate
cas: 64501-15-1
formula: C6H15NO3.C6H14O4S
inchikey: WPRMJVWIJNAMSG-UHFFFAOYSA-N
norman_susdat_id: NS00086594
smiles: CCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO
inchi:
InChI=1/C6H15NO3.C6H14O4S/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,(H,7,8,9)


name: Benzenesulfonamide, 2,5-dichloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-N,N-dimethyl-
cas: 64501-19-5
chemspiderid: 102256
dtxsid: DTXSID5070105
formula: C19H21Cl2N5O2S1
inchikey: CRNZYEPBJAYXLA-UHFFFAOYSA-N
norman_susdat_id: NS00035705
pubchem_cid: 116632
smiles: CCN(CCC#N)c1ccc(cc1)N=Nc1cc(Cl)c(cc1Cl)S(=O)(=O)N(C)C
inchi:
InChI=1S/C19H21Cl2N5O2S/c1-4-26(11-5-10-22)15-8-6-14(7-9-15)23-24-18-12-17(21)19(13-16(18)20)29(27,28)25(2)3/h6-9,12-13H,4-5,11H2,1-3H3/b24-23+


name: Sofalcone
cas: 64506-49-6
chebiid: CHEBI:135732
dtxsid: DTXSID5023586
formula: C27H30O6
inchikey: GFWRVVCDTLRWPK-KPKJPENVSA-N
norman_susdat_id: NS00069357
pubchem_cid: 5282219
smiles: CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1
inchi:
InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)/b12-7+


name: Ditetradecenyl hydrogen phosphate
cas: 64509-06-4
formula: C28H55O4P
inchikey: XKSJRFAHLKESRD-UHFFFAOYSA-N
norman_susdat_id: NS00053146
pubchem_cid: 54474676
smiles: O=P(O)(OC=CCCCCCCCCCCCC)OC=CCCCCCCCCCCCC
inchi:
InChI=1/C28H55O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-33(29,30)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3,(H,29,30)


name: Octadecadienyl dihydrogen phosphate
cas: 64509-07-5
formula: C18H35O4P
inchikey: OZXHJMFUPFOZLA-UHFFFAOYSA-N
norman_susdat_id: NS00053687
pubchem_cid: 78411250
smiles: O=P(O)(O)OC=CC=CCCCCCCCCCCCCCC
inchi:
InChI=1/C18H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h15-18H,2-14H2,1H3,(H2,19,20,21)


name: Sodium hexadecadienyl sulphate
cas: 64509-08-6
dtxsid: DTXSID0070106
formula: C16H30O4S
inchikey: IKRJVACGOSIRMP-UHFFFAOYSA-M
norman_susdat_id: NS00053589
pubchem_cid: 71439290
smiles: [Na+].O=S(=O)([O-])OC=CC=CCCCCCCCCCCCC
inchi:
InChI=1/C16H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h13-16H,2-12H2,1H3,(H,17,18,19);/q;+1/p-1


name: 10-(9-oxo-9H-naphth[3,2,1-kl]acridin-2-yl)naphth[2,3-c]acridine-5,8,14(13H)-trione
cas: 6451-09-8
formula: C41H20N2O4
inchikey: USAKOFCBHMNYNR-UHFFFAOYSA-N
norman_susdat_id: NS00047296
pubchem_cid: 80929
inchi:
InChI=1/C41H20N2O4/c44-38-23-7-2-1-6-22(23)34-29-18-20(12-16-31(29)42-33-11-5-10-26(38)35(33)34)21-13-17-32-30(19-21)40(46)28-15-14-27-36(37(28)43-32)41(47)25-9-4-3-8-24(25)39(27)45/h1-19H,(H,43,46)

smiles:
O=C1C=2C=CC=CC2C(=O)C=3C1=CC=C4C(=O)C=5C=C(C=CC5NC43)C6=CC=C7N=C8C=CC=C9C(=O)C=%10C=CC=CC%10C(C7=C6)=C89


name: [2,2'-bianthra[2,1-d]thiazole]-6,6',11,11'-tetraone
cas: 6451-12-3
formula: C30H12N2O4S2
inchikey: VYPILCHHNHVAAE-UHFFFAOYSA-N
norman_susdat_id: NS00047297
pubchem_cid: 80930
smiles: O=C1C=2C=CC=CC2C(=O)C=3C=4SC(=NC4C=CC13)C5=NC6=CC=C7C(=O)C=8C=CC=CC8C(=O)C7=C6S5
inchi:
InChI=1/C30H12N2O4S2/c33-23-13-5-1-3-7-15(13)25(35)21-17(23)9-11-19-27(21)37-29(31-19)30-32-20-12-10-18-22(28(20)38-30)26(36)16-8-4-2-6-14(16)24(18)34/h1-12H


name: MENTHYL PCA
cas: 64519-44-4
chemspiderid: 98142
formula: C15H25N1O3
inchikey: SLHPMAOXNSLXEH-UHFFFAOYSA-N
norman_susdat_id: NS00013845
pubchem_cid: 109140
smiles: C[C@@H]1CC[C@@H](C(C)C)[C@@H](C1)OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)19-15(18)12-6-7-14(17)16-12/h9-13H,4-8H2,1-3H3,(H,16,17)/t10-,11+,12+,13-/m1/s1


name: Isomalt
cas: 64519-82-0
chemspiderid: 3653693
dtxsid: DTXSID8020753
formula: C12H24O11
inchikey: SERLAGPUMNYUCK-UHFFFAOYSA-N
norman_susdat_id: NS00013780
pubchem_cid: 4454759
smiles: OCC(O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4?,5-,6-,7-,8-,9-,10+,11-,12+/m1/s1


name: Dibutyldiphenylstannane
cas: 6452-61-5
dtxsid: DTXSID6064371
formula: C20H28Sn
inchikey: DTYWIPLKZHQUMW-UHFFFAOYSA-N
norman_susdat_id: NS00046760
pubchem_cid: NA
smiles: C=1C=CC(=CC1)[Sn](C=2C=CC=CC2)(CCCC)CCCC
inchi:
InChI=1/2C6H5.2C4H9.Sn/c2*1-2-4-6-5-3-1;2*1-3-4-2;/h2*1-5H;2*1,3-4H2,2H3;/rC20H28Sn/c1-3-5-17-21(18-6-4-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3


name: Oxprenolol
cas: 6452-71-7
chebiid: CHEBI:91704
chemspiderid: 4470
dtxsid: DTXSID1043835
formula: C15H23N1O3
inchikey: CEMAWMOMDPGJMB-UHFFFAOYSA-N
norman_susdat_id: NS00000536
pubchem_cid: 4631
smiles: O(c1ccccc1OCC=C)CC(O)CNC(C)C
inchi:
InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3


name: (E)-10-Hydroxyamitriptyline
cas: 64520-05-4
chebiid: CHEBI:174098
chemspiderid: 4957199
dtxsid: DTXSID50873786
formula: C20H23N1O1
inchikey: GHWBJXOKAFHZAI-SFQUDFHCSA-N
norman_susdat_id: NS00040984
pubchem_cid: 6454906
smiles: CN(C)CCC=C1/c2ccccc2CC(O)c2ccccc12
inchi:
InChI=1S/C20H23NO/c1-21(2)13-7-12-17-16-9-4-3-8-15(16)14-20(22)19-11-6-5-10-18(17)19/h3-6,8-12,20,22H,7,13-14H2,1-2H3/b17-12+


name: 2,2'-((2-Butyl-2-ethylpropane-1,3-diyl)bis(oxy))bis(5-butyl-5-ethyl-1,3-dioxane)
cas: 64523-73-5
chemspiderid: 4957200
dtxsid: DTXSID10214797
formula: C29H56O6
inchikey: PZKZFHAAZNGAPH-UHFFFAOYSA-N
norman_susdat_id: NS00035710
pubchem_cid: 6454907
smiles: CCCCC(CC)(COC1OCC(CC)(CCCC)CO1)COC1OCC(CC)(CCCC)CO1
inchi:
InChI=1S/C29H56O6/c1-7-13-16-27(10-4)19-30-25(31-20-27)34-23-29(12-6,18-15-9-3)24-35-26-32-21-28(11-5,22-33-26)17-14-8-2/h25-26H,7-24H2,1-6H3/t25-,26-,27-,28+,29-/m1/s1


name: Cyclic 3',5'-thymidine monophosphate
cas: 6453-60-7
chebiid: CHEBI:75183
chemspiderid: 13628274
dtxsid: DTXSID80214800
formula: C10H13N2O7P1
inchikey: QSJFDOVQWZVUQG-XLPZGREQSA-N
norman_susdat_id: NS00015201
pubchem_cid: 12359154
smiles: CC1=CN(C(=O)NC1=O)C2CC3C(O2)COP(=O)(O3)O
inchi:
InChI=1S/C10H13N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h3,6-8H,2,4H2,1H3,(H,15,16)(H,11,13,14)/t6-,7+,8+/m0/s1


name: Cefuroxime axetil
cas: 64544-07-6
chebiid: CHEBI:3516
chemspiderid: 4882027
dtxsid: DTXSID0022775
formula: C20H22N4O10S1
inchikey: KEJCWVGMRLCZQQ-YJBYXUATSA-N
norman_susdat_id: NS00011567
pubchem_cid: 6321416
smiles: CC(OC(=O)C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=NOC)/c3ccco3)COC(=O)N
inchi:
InChI=1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20(21)29)8-35-18-14(17(27)24(15)18)22-16(26)13(23-30-3)12-5-4-6-31-12/h4-6,10,14,18H,7-8H2,1-3H3,(H2,21,29)(H,22,26)/b23-13-/t10?,14-,18-/m1/s1


name: Ethyldimethyl(9-octadecenyl)ammonium bromide
cas: 6458-13-5
dtxsid: DTXSID3041956
formula: C22H46N
inchikey: BFDFJIJWIIIZJB-UHFFFAOYSA-M
norman_susdat_id: NS00046010
pubchem_cid: 22958
smiles: [Br-].C(=CCCCCCCCC[N+](C)(C)CC)CCCCCCCC
inchi:
InChI=1/C22H46N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2;/h13-14H,5-12,15-22H2,1-4H3;1H/q+1;/p-1


name: 5-[[[(methylamino)carbonyl]oxy]methyl]-3-[3-(trifluoromethyl)phenyl]oxazolidin-2-one
cas: 64589-75-9
dtxsid: DTXSID10983198
formula: C13H13F3N2O4
inchikey: FLAVTWMQYKSKOG-UHFFFAOYSA-N
norman_susdat_id: NS00054499
pubchem_cid: 198478
smiles: O=C(OCC1OC(=O)N(C2=CC=CC(=C2)C(F)(F)F)C1)NC
inchi:
InChI=1/C13H13F3N2O4/c1-17-11(19)21-7-10-6-18(12(20)22-10)9-4-2-3-8(5-9)13(14,15)16/h2-5,10H,6-7H2,1H3,(H,17,19)


cas: 6459-69-4
dtxsid: DTXSID60889550
formula: C40H36N4O12S2
inchikey: XUZHXIHNGUZLPL-UHFFFAOYSA-L
norman_susdat_id: NS00046011
pubchem_cid: 160839
name:
Disodium 3,3'-[cyclohexylidenebis[(2-methoxy-4,1-phenylene)azo]]bis(4,6-dihydroxynaphthalene-2-sulphonate)

inchi:
InChI=1/C40H36N4O12S2.2Na/c1-55-32-18-24(8-12-30(32)41-43-36-34(57(49,50)51)16-22-6-10-26(45)20-28(22)38(36)47)40(14-4-3-5-15-40)25-9-13-31(33(19-25)56-2)42-44-37-35(58(52,53)54)17-23-7-11-27(46)21-29(23)39(37)48;;/h6-13,16-21,45-48H,3-5,14-15H2,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=C2C=CC(O)=CC2=C(O)C1N=NC3=CC=C(C=C3OC)C4(C5=CC=C(N=NC=6C(O)=C7C=C(O)C=CC7=CC6S(=O)(=O)[O-])C(OC)=C5)CCCCC4


cas: 6459-86-5
formula: C31H23N5O8S
inchikey: MJQBIKNFJPVEOF-UHFFFAOYSA-L
norman_susdat_id: NS00047312
pubchem_cid: NA
name:
Disodium 5-[[4'-[[7-(acetylamino)-1-hydroxy-3-sulphonato-2-naphthyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C31H23N5O8S.2Na/c1-17(37)32-23-11-6-20-14-28(45(42,43)44)29(30(39)25(20)15-23)36-34-22-9-4-19(5-10-22)18-2-7-21(8-3-18)33-35-24-12-13-27(38)26(16-24)31(40)41;;/h2-16,38-39H,1H3,(H,32,37)(H,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC4=C(O)C5=CC(=CC=C5C=C4S(=O)(=O)[O-])NC(=O)C)C=C3)=CC=C1O


cas: 6459-87-6
dtxsid: DTXSID20983205
formula: C29H20N6O9S
inchikey: UUNPXCOEOGGFAI-UHFFFAOYSA-K
norman_susdat_id: NS00046744
pubchem_cid: NA
name:
Trisodium 4-[[4'-[(3-carboxylato-4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C29H20N6O9S.3Na/c36-24-14-9-20(15-23(24)28(38)39)32-30-18-5-1-16(2-6-18)17-3-7-19(8-4-17)31-33-25-26(29(40)41)34-35(27(25)37)21-10-12-22(13-11-21)45(42,43)44;;;/h1-15,25,36H,(H,38,39)(H,40,41)(H,42,43,44);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC4C(=O)N(N=C4C(=O)[O-])C5=CC=C(C=C5)S(=O)(=O)[O-])C=C3)=CC=C1O


cas: 6459-94-5
dtxsid: DTXSID8021224
formula: C37H30N4O10S3
inchikey: HNBQFKZSMFFZQY-UHFFFAOYSA-L
norman_susdat_id: NS00046818
pubchem_cid: 22961
name:
Disodium 8-((3,3'-dimethyl-4'-(4-(4-methylphenylsulphonyloxy)phenylazo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxynaphthalene-1,3-disulphonate

inchi:
InChI=1/C37H30N4O10S3.2Na/c1-22-4-13-30(14-5-22)54(49,50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,47)48;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(O)C(N=NC3=CC=C(C=C3C)C=4C=CC(N=NC5=CC=C(OS(=O)(=O)C6=CC=C(C=C6)C)C=C5)=C(C4)C)=C2C(=C1)S(=O)(=O)[O-]


