 | | ECL | | Name: | 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole | | Formula: | C18 H15 Cl3 N2 O | | SMILES: | Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2)Cn3ccnc3 | | InChi: | InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1 | | Synonyms: | R-Econazole | | Definition date: | 2010-02-16 | | Last modified: | 2021-03-01 | | Identifier: | 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole |
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 | | EDH | | Name: | N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide | | Formula: | C18 H18 N4 O2 | | SMILES: | C(c3cccc(C(=O)/N=C1Nc2c(N1CCC)cccc2)c3)(=O)N | | InChi: | InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24) | | Synonyms: | EDHS-206 | | Definition date: | 2017-05-17 | | Last modified: | 2021-03-01 | | Release date: | 2017-08-30 | | Identifier: | N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide |
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 | | EDO | | Name: | 1,2-ETHANEDIOL | | Formula: | C2 H6 O2 | | SMILES: | OCCO | | InChi: | InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 | | Synonyms: | ETHYLENE GLYCOL | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | ethane-1,2-diol |
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 | | EDP | | Name: | 5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione | | Formula: | C11 H18 N2 O2 S | | SMILES: | O=C1NC(=S)NC(=O)C1(C(C)CCC)CC | | InChi: | InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/t7-/m1/s1 | | Synonyms: | Thiopental | | Definition date: | 2011-04-05 | | Last modified: | 2021-03-01 | | Identifier: | 5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione |
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 | | EDV | | Name: | 1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione | | Formula: | C12 H14 N2 O5 | | SMILES: | O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2C)CO | | InChi: | InChI=1S/C12H14N2O5/c1-3-7-4-14(12(18)13-10(7)17)11-6(2)9(16)8(5-15)19-11/h1,4,6,8-9,11,15-16H,5H2,2H3,(H,13,17,18)/t6-,8+,9-,11+/m0/s1 | | Synonyms: | (2'S)-2'-DEOXY-2'-METHYL-5-ETHYNYLURIDINE | | Definition date: | 2014-02-12 | | Last modified: | 2021-03-01 | | Release date: | 2014-08-13 | | Identifier: | 1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione |
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 | | EE1 | | Name: | (3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid | | Formula: | C26 H34 N7 O22 P3 | | SMILES: | NC(=O)C1=CN(C=C[CH]1[CH](CC(O)=O)C(=O)C(O)=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C26H34N7O22P3/c27-21-15-23(30-7-29-21)33(8-31-15)25-20(54-56(43,44)45)18(38)13(53-25)6-51-58(48,49)55-57(46,47)50-5-12-17(37)19(39)24(52-12)32-2-1-9(11(4-32)22(28)40)10(3-14(34)35)16(36)26(41)42/h1-2,4,7-10,12-13,17-20,24-25,37-39H,3,5-6H2,(H2,28,40)(H,34,35)(H,41,42)(H,46,47)(H,48,49)(H2,27,29,30)(H2,43,44,45)/t9-,10-,12+,13+,17+,18+,19+,20+,24+,25+/m0/s1 | | Synonyms: | NADPH with ketoglutarate adduct | | Definition date: | 2018-01-02 | | Last modified: | 2021-03-01 | | Release date: | 2018-02-07 | | Identifier: | (3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid |
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 | | EEM | | Name: | [(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium | | Formula: | C15 H23 N6 O5 Se | | SMILES: | O=C(O)C(N)CC[Se+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27-/m0/s1 | | Synonyms: | Se-ADENOSYLSELENOMETHIONINE | | Definition date: | 2008-09-03 | | Last modified: | 2021-03-01 | | Identifier: | [(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}methylselenonium (non-preferred name) |
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 | | EG8 | | Name: | N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine | | Formula: | C17 H20 N6 | | SMILES: | n1ccc(nc1n2ccnc2)CCNCCCc3cccnc3 | | InChi: | InChI=1S/C17H20N6/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23/h2,4,6,8,10-14,18H,1,3,5,7,9H2 | | Synonyms: | N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin-3-yl)propan-1-amine | | Definition date: | 2014-10-21 | | Last modified: | 2021-03-01 | | Release date: | 2014-12-24 | | Identifier: | N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine |
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 | | EGR | | Name: | ethyl 3,4,5-trihydroxybenzoate | | Formula: | C9 H10 O5 | | SMILES: | O=C(OCC)c1cc(O)c(O)c(O)c1 | | InChi: | InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3 | | Synonyms: | ethyl gallate | | Definition date: | 2013-02-14 | | Last modified: | 2021-03-01 | | Release date: | 2013-05-22 | | Identifier: | ethyl 3,4,5-trihydroxybenzoate |
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 | | EGT | | Name: | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL | | Formula: | C15 H14 O7 | | SMILES: | Oc1cc(cc(O)c1O)C3Oc2cc(O)cc(O)c2CC3O | | InChi: | InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1 | | Synonyms: | EPIGALLOCATECHIN | | Definition date: | 2001-08-14 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
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 | | EHD | | Name: | 4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE | | Formula: | C20 H16 N2 O4 | | SMILES: | O=C1N4C(=CC2=C1COC(=O)C2(O)CC)c3nc5c(cc3C4)cccc5 | | InChi: | InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | | Synonyms: | CAMPTOTHECIN | | Definition date: | 2004-06-09 | | Last modified: | 2021-03-01 | | Identifier: | (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione |
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 | | EIT | | Name: | ((3R,4R,5R)-4-(2-(1H-IMIDAZOL-1-YL)ETHOXY)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE | | Formula: | C15 H21 N4 O9 P | | SMILES: | O=C1NC(=O)N(C=C1C)C3OC(C(O)C3OCCn2ccnc2)COP(=O)(O)O | | InChi: | InChI=1S/C15H21N4O9P/c1-9-6-19(15(22)17-13(9)21)14-12(26-5-4-18-3-2-16-8-18)11(20)10(28-14)7-27-29(23,24)25/h2-3,6,8,10-12,14,20H,4-5,7H2,1H3,(H,17,21,22)(H2,23,24,25)/t10-,11-,12-,14-/m1/s1 | | Synonyms: | 2'-O-[1-ETHYL-1H-IMIDAZOL)] THYMIDINE-5'-MONOPHOSPHATE | | Definition date: | 2004-12-16 | | Last modified: | 2021-03-01 | | Identifier: | 2'-O-[2-(1H-imidazol-1-yl)ethyl]-5-methyluridine 5'-(dihydrogen phosphate) |
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 | | EJ4 | | Name: | (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol | | Formula: | C26 H26 N2 O3 | | SMILES: | Oc4c3OC7c2c(c1ccccc1n2)CC6(O)C5N(CCC67c3c(cc4)C5)CC8CC8 | | InChi: | InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1 | | Synonyms: | Naltrindole | | Definition date: | 2012-04-13 | | Last modified: | 2021-03-01 | | Identifier: | (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol |
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 | | AL3 | | Name: | 3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE | | Formula: | C11 H12 N2 O5 S4 | | SMILES: | O=S(=O)(c1sc3c(c1)C(O)CN(Cc2sccc2)S3(=O)=O)N | | InChi: | InChI=1S/C11H12N2O5S4/c12-21(15,16)10-4-8-9(14)6-13(5-7-2-1-3-19-7)22(17,18)11(8)20-10/h1-4,9,14H,5-6H2,(H2,12,15,16)/t9-/m0/s1 | | Synonyms: | AL5300 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (4R)-4-hydroxy-2-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
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 | | AL4 | | Name: | (R)-4-ETHYLAMINO-3,4-DIHYDRO-2-(2-METHOYLETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE | | Formula: | C11 H19 N3 O5 S3 | | SMILES: | O=S(=O)(c1sc2c(c1)C(NCC)CN(CCOC)S2(=O)=O)N | | InChi: | InChI=1S/C11H19N3O5S3/c1-3-13-9-7-14(4-5-19-2)22(17,18)11-8(9)6-10(20-11)21(12,15)16/h6,9,13H,3-5,7H2,1-2H3,(H2,12,15,16)/t9-/m0/s1 | | Synonyms: | AL4623 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (4R)-4-(ethylamino)-2-(2-methoxyethyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
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 | | AL6 | | Name: | 2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFINAMIDE-1,1-DIOXIDE | | Formula: | C13 H12 N2 O5 S3 | | SMILES: | O=S(=O)(c1sc3c(c1)C=CN(c2cccc(OC)c2)S3(=O)=O)N | | InChi: | InChI=1S/C13H12N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-8H,1H3,(H2,14,16,17) | | Synonyms: | AL6528 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 2-(3-methoxyphenyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
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 | | ALE | | Name: | L-EPINEPHRINE | | Formula: | C9 H13 N O3 | | SMILES: | Oc1ccc(cc1O)C(O)CNC | | InChi: | InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1 | | Synonyms: | ADRENALINE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol |
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 | | AM1 | | Name: | (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID | | Formula: | C8 H10 N2 O5 | | SMILES: | O=C(O)c1noc(c1CC(C(=O)O)N)C | | InChi: | InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14) | | Synonyms: | ACPA | | Definition date: | 2002-07-11 | | Last modified: | 2021-03-01 | | Identifier: | 4-(2-amino-2-carboxyethyl)-5-methylisoxazole-3-carboxylic acid |
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 | | ANY | | Name: | 2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-7-YL ESTER | | Formula: | C29 H42 N2 O9 | | SMILES: | O=CNc1cccc(c1O)C(=O)NC2C(=O)OC(C(OC(=O)C(C)CC)C(C(=O)OC2C)CCCCCCC)C | | InChi: | InChI=1S/C29H42N2O9/c1-6-8-9-10-11-13-21-25(40-27(35)17(3)7-2)19(5)39-29(37)23(18(4)38-28(21)36)31-26(34)20-14-12-15-22(24(20)33)30-16-32/h12,14-19,21,23,25,33H,6-11,13H2,1-5H3,(H,30,32)(H,31,34)/t17-,18-,19+,21-,23+,25+/m1/s1 | | Synonyms: | ANTIMYCIN | | Definition date: | 2004-06-14 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3S,6S,7R,8R)-3-({[3-(formylamino)-2-hydroxyphenyl]carbonyl}amino)-8-heptyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl (2R)-2-methylbutanoate (non-preferred name) |
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 | | AOO | | Name: | N-ethyl-6-methoxy-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine | | Formula: | C9 H17 N5 O | | SMILES: | O(c1nc(nc(n1)NC(C)C)NCC)C | | InChi: | InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) | | Synonyms: | Atraton | | Definition date: | 2010-03-05 | | Last modified: | 2021-03-01 | | Identifier: | N-ethyl-6-methoxy-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine |
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 | | AOQ | | Name: | 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione | | Formula: | C22 H19 Cl O3 | | SMILES: | Clc1ccc(cc1)C4CCC(C=3C(=O)c2ccccc2C(=O)C=3O)CC4 | | InChi: | InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15- | | Synonyms: | Atovaquone | | Definition date: | 2014-06-03 | | Last modified: | 2021-03-01 | | Release date: | 2014-06-11 | | Identifier: | 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione |
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 | | AOX | | Name: | (3Beta,5alpha)-3-Hydroxyandrostan-17-one | | Formula: | C19 H30 O2 | | SMILES: | O=C2C1(CCC3C(C1CC2)CCC4C3(CCC(O)C4)C)C | | InChi: | InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1 | | Synonyms: | Epiandrosterone | | Definition date: | 2011-12-18 | | Last modified: | 2021-03-01 | | Identifier: | (3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one |
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 | | AQ9 | | Name: | 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose | | Formula: | C32 H50 O13 | | SMILES: | C=C1/C5(CC4(C1)CCC3C(C(OC2OC(C(C(O)C2O)O)CO)=O)(C)CCCC3(C4CC5)C)OC6OC(CO)C(O)C(O)C6O | | InChi: | InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(41)44-26-24(39)22(37)20(35)16(12-33)42-26)19(31)6-10-32(15,14-31)45-27-25(40)23(38)21(36)17(13-34)43-27/h16-27,33-40H,1,4-14H2,2-3H3/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1 | | Synonyms: | Rubusoside | | Definition date: | 2018-11-15 | | Last modified: | 2021-03-01 | | Release date: | 2019-07-31 | | Identifier: | 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose |
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 | | AQJ | | Name: | (3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside | | Formula: | C28 H47 N O8 | | SMILES: | C1(OC(C(C)C(C(C)C(C(C)CC(C(C=CC1(C)O)=O)C)OC2C(C(CC(C)O2)N(C)C)O)=O)=O)CC | | InChi: | InChI=1S/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1 | | Synonyms: | Pikromycin | | Definition date: | 2017-07-24 | | Last modified: | 2021-03-01 | | Release date: | 2018-02-14 | | Identifier: | (3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside |
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 | | 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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