 | | ARD | | Name: | C15-(R)-METHYLTHIENYL RAPAMYCIN | | Formula: | C55 H81 N O12 S | | SMILES: | O=C2C(=O)C5(OC(CC(c1sc(cc1)C)C(=CC=CC=CC(C)CC(C(=O)C(OC)C(O)C(=CC(C(=O)CC(OC(=O)C3N2CCCC3)C(C)CC4CCC(O)C(OC)C4)C)C)C)C)CCC5C)O | | InChi: | InChI=1S/C55H81NO12S/c1-32-16-12-11-13-17-33(2)42(48-24-20-39(8)69-48)30-41-22-19-38(7)55(64,68-41)52(61)53(62)56-25-15-14-18-43(56)54(63)67-46(35(4)28-40-21-23-44(57)47(29-40)65-9)31-45(58)34(3)27-37(6)50(60)51(66-10)49(59)36(5)26-32/h11-13,16-17,20,24,27,32,34-36,38,40-44,46-47,50-51,57,60,64H,14-15,18-19,21-23,25-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,40+,41+,42-,43+,44-,46+,47-,50-,51+,55-/m1/s1 | | Synonyms: | RAPAMYCIN IMMUNOSUPPRESSANT DRUG | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21R,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10-methoxy-6,8,12,14,20,26-hexamethyl-21-(5-methylthiophen-2-yl)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone |
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 | | ARH | | Name: | 3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE | | Formula: | C19 H18 N2 O3 | | SMILES: | O=C3c2n(c(c1ccccc1)c(c2C(=O)C(=C3)N4C(C4)C)CO)C | | InChi: | InChI=1S/C19H18N2O3/c1-11-9-21(11)14-8-15(23)18-16(19(14)24)13(10-22)17(20(18)2)12-6-4-3-5-7-12/h3-8,11,22H,9-10H2,1-2H3/t11-,21+/m1/s1 | | Synonyms: | ARH019 | | Definition date: | 2001-06-08 | | Last modified: | 2021-03-01 | | Identifier: | 3-(hydroxymethyl)-1-methyl-5-[(2R)-2-methylaziridin-1-yl]-2-phenyl-1H-indole-4,7-dione |
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 | | ARJ | | Name: | (2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone | | Formula: | C11 H13 N5 O3 | | SMILES: | O=C3C(O)C(n1c2ncnc(c2nc1)N)CC3CO | | InChi: | InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,9,17,19H,1-2H2,(H2,12,13,14)/t5-,6-,9+/m1/s1 | | Synonyms: | 3'-keto-aristeromycin | | Definition date: | 2008-03-05 | | Last modified: | 2021-03-01 | | Identifier: | (2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone |
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 | | ARR | | Name: | N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE | | Formula: | C20 H20 Cl N3 S | | SMILES: | Clc1cccc(c1)CNCCc3ccc(NC(=[N@H])c2sccc2)cc3 | | InChi: | InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24) | | Synonyms: | N-(4-(2-((3-CHLOROPHENYLMETHYL)AMINO)ETHYL)PHENYL)-2-THIOPHECARBOXAMIDINE | | Definition date: | 2004-02-18 | | Last modified: | 2021-03-01 | | Identifier: | N-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide |
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 | | ARX | | Name: | (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(6-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide | | Formula: | C28 H47 N15 O7 | | SMILES: | O=C(N)C(NC(=O)C(NC(=O)CCCCCNC(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCCNC(=[N@H])N)CCCNC(=[N@H])N | | InChi: | InChI=1S/C28H47N15O7/c29-21-17-23(39-12-38-21)43(13-40-17)26-19(46)18(45)20(50-26)25(49)35-9-3-1-2-8-16(44)41-15(7-5-11-37-28(33)34)24(48)42-14(22(30)47)6-4-10-36-27(31)32/h12-15,18-20,26,45-46H,1-11H2,(H2,30,47)(H,35,49)(H,41,44)(H,42,48)(H2,29,38,39)(H4,31,32,36)(H4,33,34,37)/t14-,15-,18+,19-,20+,26-/m1/s1 | | Synonyms: | ARC-1034 | | Definition date: | 2008-01-30 | | Last modified: | 2021-03-01 | | Identifier: | (2S,3S,4R,5R)-N-(6-{[(2R)-1-{[(2R)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino}-5-carbamimidamido-1-oxopentan-2-yl]amino}-6-oxohexyl)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name) |
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 | | DF0 | | Name: | (2-fluorobiphenyl-4-yl)acetic acid | | Formula: | C14 H11 F O2 | | SMILES: | Fc2cc(ccc2c1ccccc1)CC(=O)O | | InChi: | InChI=1S/C14H11FO2/c15-13-8-10(9-14(16)17)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17) | | Synonyms: | Des-methylflurbiprofen | | Definition date: | 2012-06-29 | | Last modified: | 2021-03-01 | | Release date: | 2012-08-24 | | Identifier: | (2-fluorobiphenyl-4-yl)acetic acid |
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 | | ASW | | Name: | N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide | | Formula: | C21 H19 N3 O3 S | | SMILES: | O=S(=O)(Nc1ccc(c(OC)c1)Nc2c4c(nc3c2cccc3)cccc4)C | | InChi: | InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23) | | Synonyms: | Amsacrine | | Definition date: | 2012-07-25 | | Last modified: | 2021-03-01 | | Release date: | 2013-07-17 | | Identifier: | N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide |
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 | | AT4 | | Name: | 5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE | | Formula: | C10 H15 N5 O9 P2 S | | SMILES: | O=P(O)(S)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1 | | Synonyms: | ADENOSINE 5'-O-(2-THIODIPHOSPHATE) | | Definition date: | 2007-01-23 | | Last modified: | 2021-03-01 | | Identifier: | 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]adenosine |
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 | | DFV | | Name: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE | | Formula: | C15 H12 O4 | | SMILES: | O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3 | | InChi: | InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1 | | Synonyms: | 5-DEOXYFLAVANONE | | Definition date: | 2000-08-29 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one |
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 | | 4FE | | Name: | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid | | Formula: | C10 H10 O4 | | SMILES: | O=C(O)C=Cc1ccc(OC)c(O)c1 | | InChi: | InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ | | Synonyms: | 3-(3-HYDROXY-4-METHOXYPHENYL)-2-PROPENOIC ACID | | Definition date: | 2008-02-25 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid |
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 | | DGB | | Name: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide | | Formula: | C24 H29 N3 O2 | | SMILES: | O=C(/C=C/c1cccnc1)NCCCCC2CCN(CC2)C(=O)c3ccccc3 | | InChi: | InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+ | | Synonyms: | FK-866 | | Definition date: | 2006-03-09 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide |
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 | | DGJ | | Name: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol | | Formula: | C6 H13 N O4 | | SMILES: | OC1C(NCC(O)C1O)CO | | InChi: | InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1 | | Synonyms: | 1-deoxygalactonojirimycin | | Definition date: | 2011-07-01 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol |
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 | | 4FZ | | Name: | 4-formylbenzenecarboximidamide | | Formula: | C8 H8 N2 O | | SMILES: | NC(=N)c1ccc(C=O)cc1 | | InChi: | InChI=1S/C8H8N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-5H,(H3,9,10) | | Synonyms: | 4-formylbenzimidamide | | Definition date: | 2009-11-19 | | Last modified: | 2021-03-01 | | Identifier: | 4-methanoylbenzenecarboximidamide |
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 | | DGQ | | Name: | (S)-2-(3-((S)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid | | Formula: | C15 H31 B10 N3 O8 | | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]58%14[BH]%11%15%16[BH]%12%17%18[BH]9%13%19[BH]16%10[BH]2%17%19[CH]3%15%18[BH]47%14%16)C(O)=O)C(O)=O | | InChi: | InChI=1S/C15H31B10N3O8/c29-9(30)5-4-8(11(33)34)28-13(36)27-7(10(31)32)3-1-2-6-26-12(35)15-14-16(15)18(14)19(14)17(14,15)21(15)20(15,16)22(16,18)24(18,19)23(17,19,21)25(20,21,22)24/h7-8,14,16-25H,1-6H2,(H,26,35)(H,29,30)(H,31,32)(H,33,34)(H2,27,28,36)/t7-,8-/m0/s1 | | Synonyms: | DCCBL | | Definition date: | 2014-04-08 | | Last modified: | 2021-03-01 | | Release date: | 2015-02-18 |
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 | | DH7 | | Name: | (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene | | Formula: | C30 H46 | | SMILES: | C(=C(C)CCC=C(/C)CCC=C(/C)C)=CC=C=C(/C)CC/C=C(C)CCC=C(/C)C | | InChi: | InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-16,23-24H,11-14,19-22H2,1-8H3/b29-23+,30-24+ | | Synonyms: | dehydrosqualene | | Definition date: | 2010-07-07 | | Last modified: | 2021-03-01 | | Identifier: | (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene |
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 | | 4HX | | Name: | (4R)-4-(HYDROXY{N~5~-[IMINO(NITROAMINO)METHYL]-L-ORNITHYL}AMINO)-L-PROLINAMIDE | | Formula: | C11 H22 N8 O5 | | SMILES: | O=C(N)C1NCC(N(O)C(=O)C(N)CCCNC(=[N@H])N[N+]([O-])=O)C1 | | InChi: | InChI=1S/C11H22N8O5/c12-7(2-1-3-15-11(14)17-19(23)24)10(21)18(22)6-4-8(9(13)20)16-5-6/h6-8,16,22H,1-5,12H2,(H2,13,20)(H3,14,15,17)/t6-,7+,8+/m1/s1 | | Synonyms: | 4-N-(NW-NITRO-L-ARGININYL)-TRANS-4-HYDROXYAMINO-L-PROLINE AMIDE | | Definition date: | 2006-08-07 | | Last modified: | 2021-03-01 | | Identifier: | (4R)-4-{hydroxy[N~5~-(N-nitrocarbamimidoyl)-L-ornithyl]amino}-L-prolinamide |
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 | | DIR | | Name: | 3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}ALANINE | | Formula: | C4 H10 N4 O3 | | SMILES: | O=C(O)C(N)CNC(=NO)N | | InChi: | InChI=1S/C4H10N4O3/c5-2(3(9)10)1-7-4(6)8-11/h2,11H,1,5H2,(H,9,10)(H3,6,7,8)/t2-/m0/s1 | | Synonyms: | DINOR-N(OMEGA)-HYDROXY-L-ARGININE | | Definition date: | 2004-05-20 | | Last modified: | 2021-03-01 | | Identifier: | 3-(N''-hydroxycarbamimidamido)-L-alanine |
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 | | DIZ | | Name: | (4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID | | Formula: | C23 H15 Cl2 I N2 O4 | | SMILES: | Clc1ccc(cc1)C(C(=O)O)N3C(=O)c4cc(I)ccc4NC(=O)C3c2ccc(Cl)cc2 | | InChi: | InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1 | | Synonyms: | DI-CHLORO-BENZO-DIAZEPINE | | Definition date: | 2004-05-10 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-(4-chlorophenyl)[(3S)-3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl]ethanoic acid |
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 | | DJO | | Name: | (phenylmethyl) (2S)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate | | Formula: | C17 H17 N O3 | | SMILES: | OC[CH]1Cc2ccccc2N1C(=O)OCc3ccccc3 | | InChi: | InChI=1S/C17H17NO3/c19-11-15-10-14-8-4-5-9-16(14)18(15)17(20)21-12-13-6-2-1-3-7-13/h1-9,15,19H,10-12H2/t15-/m0/s1 | | Synonyms: | Benzyl 2-(Hydroxymethyl)-1-Indolinecarboxylate | | Definition date: | 2019-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-25 | | Identifier: | (phenylmethyl) (2~{S})-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate |
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 | | DJU | | Name: | N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine | | Formula: | C18 H20 N2 O | | SMILES: | CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 | | InChi: | InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3 | | Synonyms: | 5-Benzyloxygramine | | Definition date: | 2019-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-25 | | Identifier: | ~{N},~{N}-dimethyl-1-(5-phenylmethoxy-1~{H}-indol-3-yl)methanamine |
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 | | DJX | | Name: | N-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine | | Formula: | C19 H23 N7 S | | SMILES: | CCN1CCN(CC1)c2cc(Nc3sc(cn3)c4ccncc4)nc(C)n2 | | InChi: | InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24) | | Synonyms: | 6-(4-ethylpiperazin-1-yl)-2-methyl-N-(5-(pyridin-4-yl)thiazol-2-yl)pyrimidin-4-amine | | Definition date: | 2019-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2019-11-27 | | Identifier: | ~{N}-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine |
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 | | 4JG | | Name: | 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone | | Formula: | C16 H14 N2 O S | | SMILES: | O=C(c1sc(nc1C)Nc2ccc3c(c2)cccc3)C | | InChi: | InChI=1S/C16H14N2OS/c1-10-15(11(2)19)20-16(17-10)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,18) | | Synonyms: | 1-(4-methyl-2-(naphthalen-2-ylamino)thiazol-5-yl)ethanone | | Definition date: | 2013-03-11 | | Last modified: | 2021-03-01 | | Release date: | 2014-03-05 | | Identifier: | 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone |
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 | | DKW | | Name: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide | | Formula: | C13 H14 N6 O4 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NCC#C | | InChi: | InChI=1S/C13H14N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h1,4-5,7-9,13,20-21H,3H2,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1 | | Synonyms: | 6-CARBOXYMETHYLURACIL | | Definition date: | 2018-01-23 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-06 | | Identifier: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide |
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 | | DL5 | | Name: | Spiro(2,4,6-trinitrobenzene[1,2a]-O2',O3'-methylene-adenosine (beta,gamma-methylene)triphosphate | | Formula: | C17 H19 N8 O18 P3 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH]4O[C]5(O[CH]34)C(=C[C](C=C5[N+]([O-])=O)=[N+](O)[O-])[N+]([O-])=O | | InChi: | InChI=1S/C17H19N8O18P3/c18-14-11-15(20-4-19-14)22(5-21-11)16-13-12(8(40-16)3-39-46(37,38)43-45(35,36)6-44(32,33)34)41-17(42-13)9(24(28)29)1-7(23(26)27)2-10(17)25(30)31/h1-2,4-5,8,12-13,16H,3,6H2,(H,26,27)(H,35,36)(H,37,38)(H2,18,19,20)(H2,32,33,34)/t8-,12-,13-,16-/m1/s1 | | Synonyms: | TNP-AMPPCP | | Definition date: | 2015-06-03 | | Last modified: | 2021-03-01 | | Release date: | 2016-04-13 | | Identifier: | (3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-3',5'-dinitro-N-oxidanyl-6-[[oxidanyl-[oxidanyl(phosphonomethyl)phosphoryl]oxy-phosphoryl]oxymethyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-imine oxide |
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 | | T5C | | Name: | 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM | | Formula: | C32 H39 N2 O12 S4 | | SMILES: | O=S(=O)(O)CC[N+]=2c1ccc(cc1C(C=2C=CC=C(C=CC=C4N(c3ccc(cc3C4(C)C)S(=O)(=O)O)CCS(=O)(=O)O)C)(C)C)S(=O)(=O)O | | InChi: | InChI=1S/C32H38N2O12S4/c1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40/h6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46)/p+1 | | Synonyms: | TETRASULFOCYANINE | | Definition date: | 2006-12-03 | | Last modified: | 2021-03-01 | | Identifier: | 2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3H-indolium |
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