 | | PGX | | Name: | 7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID | | Formula: | C20 H32 O6 | | SMILES: | O=C(O)CCC/C=CCC2C1OOC(C1)C2/C=C/C(OO)CCCCC | | InChi: | InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 | | Synonyms: | PROSTAGLANDIN G2 | | Definition date: | 1999-11-10 | | Last modified: | 2021-03-01 | | Identifier: | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid |
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 | | PH1 | | Name: | 1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE | | Formula: | C43 H88 O2 | | SMILES: | O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)CC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)C | | InChi: | InChI=1S/C43H88O2/c1-35(2)18-12-20-37(5)22-14-24-39(7)26-16-28-41(9)30-32-44-34-43(11)45-33-31-42(10)29-17-27-40(8)25-15-23-38(6)21-13-19-36(3)4/h35-43H,12-34H2,1-11H3/t37-,38-,39-,40-,41-,42-,43+/m0/s1 | | Synonyms: | PHYTANYL MOIETY | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (3S,7S,11S,3'S,7'S,11'S)-1,1'-[(2R)-propane-1,2-diylbis(oxy)]bis(3,7,11,15-tetramethylhexadecane) |
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 | | AKV | | Name: | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | | Formula: | C22 H22 O8 | | SMILES: | O=C2c1cccc(O)c1C(=O)c3c2cc(c(c3O)C(O)CC(O)CC)CC(=O)OC | | InChi: | InChI=1S/C22H22O8/c1-3-11(23)9-15(25)17-10(8-16(26)30-2)7-13-19(21(17)28)22(29)18-12(20(13)27)5-4-6-14(18)24/h4-7,11,15,23-25,28H,3,8-9H2,1-2H3/t11-,15+/m0/s1 | | Synonyms: | DERIVATIVE OF AKLANONIC ACID METHYL ESTER (AAME) | | Definition date: | 2006-02-07 | | Last modified: | 2021-03-01 | | Identifier: | methyl {3-[(1R,3S)-1,3-dihydroxypentyl]-4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl}acetate |
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 | | AL2 | | Name: | 3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPHENYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE | | Formula: | C13 H14 N2 O6 S3 | | SMILES: | O=S(=O)(c1sc3c(c1)C(O)CN(c2ccc(OC)cc2)S3(=O)=O)N | | InChi: | InChI=1S/C13H14N2O6S3/c1-21-9-4-2-8(3-5-9)15-7-11(16)10-6-12(23(14,17)18)22-13(10)24(15,19)20/h2-6,11,16H,7H2,1H3,(H2,14,17,18)/t11-/m0/s1 | | Synonyms: | AL5424 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
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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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 | | D7G | | Name: | ((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER | | Formula: | C25 H37 N3 O7 | | SMILES: | O=C(C(=O)NC1CC1)C(NC(=O)C(NC(=O)OCCOCCOC)CC(C)C)Cc2ccccc2 | | InChi: | InChI=1S/C25H37N3O7/c1-17(2)15-21(28-25(32)35-14-13-34-12-11-33-3)23(30)27-20(16-18-7-5-4-6-8-18)22(29)24(31)26-19-9-10-19/h4-8,17,19-21H,9-16H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21-/m0/s1 | | Synonyms: | SNJ-1945 | | Definition date: | 2006-03-08 | | Last modified: | 2021-03-01 | | Identifier: | N-[(1S)-1-benzyl-3-(cyclopropylamino)-2,3-dioxopropyl]-N~2~-{[2-(2-methoxyethoxy)ethoxy]carbonyl}-L-leucinamide |
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 | | D7P | | Name: | D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-D-ORNITHINAMIDE | | Formula: | C15 H25 N7 O4 | | SMILES: | O=C(N)C(NC(=O)C(N)Cc1ccccc1)CCCNC(=[N@H])NN(O)O | | InChi: | InChI=1S/C15H25N7O4/c16-11(9-10-5-2-1-3-6-10)14(24)20-12(13(17)23)7-4-8-19-15(18)21-22(25)26/h1-3,5-6,11-12,25-26H,4,7-9,16H2,(H2,17,23)(H,20,24)(H3,18,19,21)/t11-,12-/m1/s1 | | Synonyms: | D-PHENYLALANINE-D-NITROARGININE AMIDE | | Definition date: | 2003-12-18 | | Last modified: | 2021-03-01 | | Identifier: | D-phenylalanyl-N~5~-[(E)-(2,2-dihydroxyhydrazino)(imino)methyl]-D-ornithinamide |
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 | | D7S | | Name: | (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid | | Formula: | C27 H42 O3 | | SMILES: | O=C(O)C(C)CCCC(C)C4C3(CCC1C(=CCC2CC(=O)CCC12C)C3CC4)C | | InChi: | InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1 | | Synonyms: | (25S)-delta7-dafachronic acid | | Definition date: | 2011-11-18 | | Last modified: | 2021-03-01 | | Identifier: | (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid |
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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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 | | D8E | | Name: | ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide | | Formula: | C26 H34 F N5 O6 | | SMILES: | CN1CCCC[CH](NC(=O)c2cc(C)on2)C(=O)N[CH](Cc3ccc(F)cc3)C(=O)N[CH](CO)CCC1=O | | InChi: | InChI=1S/C26H34FN5O6/c1-16-13-22(31-38-16)26(37)29-20-5-3-4-12-32(2)23(34)11-10-19(15-33)28-25(36)21(30-24(20)35)14-17-6-8-18(27)9-7-17/h6-9,13,19-21,33H,3-5,10-12,14-15H2,1-2H3,(H,28,36)(H,29,37)(H,30,35)/t19-,20-,21-/m0/s1 | | Synonyms: | LIPID FRAGMENT | | Definition date: | 2018-01-09 | | Last modified: | 2021-03-01 | | Release date: | 2018-02-21 | | Identifier: | ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide |
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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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 | | DB7 | | Name: | dibutyl benzene-1,2-dicarboxylate | | Formula: | C16 H22 O4 | | SMILES: | O=C(OCCCC)c1ccccc1C(=O)OCCCC | | InChi: | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 | | Synonyms: | Dibutyl phthalate | | Definition date: | 2012-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2012-11-02 | | Identifier: | dibutyl benzene-1,2-dicarboxylate |
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 | | DBN | | Name: | 6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE | | Formula: | C23 H20 N6 S | | SMILES: | n3c2c(cc(C1=NCCN1)cc2)nc3c4sc(cc4)c6ccc(C5=NCCN5)cc6 | | InChi: | InChI=1S/C23H20N6S/c1-3-15(21-24-9-10-25-21)4-2-14(1)19-7-8-20(30-19)23-28-17-6-5-16(13-18(17)29-23)22-26-11-12-27-22/h1-8,13H,9-12H2,(H,24,25)(H,26,27)(H,28,29) | | Synonyms: | DB819 | | Definition date: | 2005-10-06 | | Last modified: | 2021-03-01 | | Identifier: | 6-(4,5-dihydro-1H-imidazol-2-yl)-2-{5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]thiophen-2-yl}-1H-benzimidazole |
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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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 | | DCJ | | Name: | N-((1-(2,6-DICARBOXYPYRIDIN-4-YL)-1H-1,2,3-TRIAZOL-4-YL)METHYL)-2-HYDROXY-N,N-DIMETHYLETHANAMINIUM | | Formula: | C14 H18 N5 O5 | | SMILES: | O=C(O)c1nc(cc(c1)n2nnc(c2)C[N+](CCO)(C)C)C(=O)O | | InChi: | InChI=1S/C14H17N5O5/c1-19(2,3-4-20)8-9-7-18(17-16-9)10-5-11(13(21)22)15-12(6-10)14(23)24/h5-7,20H,3-4,8H2,1-2H3,(H-,21,22,23,24)/p+1 | | Synonyms: | HYDROXYETHYLCHOLINETRIAZOLEDIPICOLINATE | | Definition date: | 2012-09-14 | | Last modified: | 2021-03-01 | | Release date: | 2012-11-09 | | Identifier: | N-{[1-(2,6-dicarboxypyridin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}-2-hydroxy-N,N-dimethylethanaminium |
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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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 | | DCX | | Name: | DECYL(DIMETHYL)PHOSPHINE OXIDE | | Formula: | C12 H27 O P | | SMILES: | O=P(CCCCCCCCCC)(C)C | | InChi: | InChI=1S/C12H27OP/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3 | | Synonyms: | DIMETHYLDECYLPHOSPHINE OXIDE | | Definition date: | 2007-07-25 | | Last modified: | 2021-03-01 | | Identifier: | decyl(dimethyl)phosphane oxide |
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 | | DD6 | | Name: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol | | Formula: | C40 H54 O3 | | SMILES: | CC([C@H]=C[C@H]=C(C#CC=1C(C)(C)CC(CC=1C)O)C)=[C@H]C=[C@H]C=C(/C)C=CC=C(/C)C=C/C32OC2(CC(CC3(C)C)O)C | | InChi: | InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23-,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1 | | Synonyms: | Diadinoxanthin | | Definition date: | 2018-10-17 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-06 | | Identifier: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol |
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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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 | | 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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