 | | E4R | | Name: | (3S,5R,8R,9S,10S,13S,14S,17S)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14,17-triol | | Formula: | C23 H34 O4 | | SMILES: | C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[C]3(O)CC[C]4(O)c5cocc5 | | InChi: | InChI=1S/C23H34O4/c1-20-8-5-17(24)13-15(20)3-4-19-18(20)6-9-21(2)22(25,10-11-23(19,21)26)16-7-12-27-14-16/h7,12,14-15,17-19,24-26H,3-6,8-11,13H2,1-2H3/t15-,17+,18+,19-,20+,21-,22+,23+/m1/s1 | | Synonyms: | Rostafuroxin | | Definition date: | 2019-10-16 | | Last modified: | 2021-03-01 | | Release date: | 2020-09-02 | | Identifier: | (3~{S},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,14,17-triol |
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 | | E6R | | Name: | 1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide | | Formula: | C22 H21 F3 N2 O4 S | | SMILES: | Cc1c(cn(CCO)c1c2ccccc2C(F)(F)F)C(=O)Nc3ccc(cc3)[S](C)(=O)=O | | InChi: | InChI=1S/C22H21F3N2O4S/c1-14-18(21(29)26-15-7-9-16(10-8-15)32(2,30)31)13-27(11-12-28)20(14)17-5-3-4-6-19(17)22(23,24)25/h3-10,13,28H,11-12H2,1-2H3,(H,26,29) | | Synonyms: | esaxerenone | | Definition date: | 2019-11-06 | | Last modified: | 2021-03-01 | | Release date: | 2020-02-12 | | Identifier: | 1-(2-hydroxyethyl)-4-methyl-~{N}-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide |
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 | | E7C | | Name: | methyl (2R)-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate | | Formula: | C24 H24 O7 | | SMILES: | COC(=O)[C]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)O | | InChi: | InChI=1S/C24H24O7/c1-14(2)4-6-17-12-15(5-11-19(17)26)13-24(23(29)30-3)20(21(27)22(28)31-24)16-7-9-18(25)10-8-16/h4-5,7-12,25-27H,6,13H2,1-3H3/t24-/m1/s1 | | Synonyms: | Butyrolactone I | | Definition date: | 2019-11-07 | | Last modified: | 2021-03-01 | | Release date: | 2020-09-16 | | Identifier: | methyl (2~{R})-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate |
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 | | EAD | | Name: | {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-ETHYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}METHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | Formula: | C29 H36 N8 O15 P2 | | SMILES: | CCc1cc(ccn1)C(=O)[CH]2C=CN(C=C2C(N)=O)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O | | InChi: | InChI=1S/C29H36N8O15P2/c1-2-14-7-13(3-5-32-14)20(38)15-4-6-36(8-16(15)26(31)43)28-23(41)21(39)17(50-28)9-48-53(44,45)52-54(46,47)49-10-18-22(40)24(42)29(51-18)37-12-35-19-25(30)33-11-34-27(19)37/h3-8,11-12,15,17-18,21-24,28-29,39-42H,2,9-10H2,1H3,(H2,31,43)(H,44,45)(H,46,47)(H2,30,33,34)/t15-,17+,18+,21+,22+,23+,24+,28+,29+/m0/s1 | | Synonyms: | 2-ETHYL-ISONICOTINIC-ACYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE | | Definition date: | 2006-06-14 | | Last modified: | 2021-03-01 | | Identifier: | [[(2R,3S,4R,5R)-5-[(4S)-3-aminocarbonyl-4-(2-ethylpyridin-4-yl)carbonyl-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate |
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 | | EAL | | Name: | 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE | | Formula: | C18 H24 N2 O5 | | SMILES: | O=C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)C)CCC2 | | InChi: | InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1 | | Synonyms: | ENALAPRILAT INHIBITOR | | Definition date: | 2004-03-11 | | Last modified: | 2021-03-01 | | Identifier: | N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl-L-proline |
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 | | EAX | | Name: | (2R,3R)-2,3,4-trihydroxybutanoic acid | | Formula: | C4 H8 O5 | | SMILES: | O=C(O)C(O)C(O)CO | | InChi: | InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3-/m1/s1 | | Synonyms: | erythronic acid | | Definition date: | 2014-04-07 | | Last modified: | 2021-03-01 | | Release date: | 2014-05-07 | | Identifier: | (2R,3R)-2,3,4-trihydroxybutanoic acid |
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 | | EB4 | | Name: | N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) | | Formula: | C30 H27 N3 O15 | | SMILES: | O=C2OCC(C(=O)OCC(C(=O)OCC2NC(=O)c1cccc(O)c1O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O | | InChi: | InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1 | | Synonyms: | Enterobactin | | Definition date: | 2008-04-08 | | Last modified: | 2021-03-01 | | Identifier: | N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) |
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 | | H8G | | Name: | N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea | | Formula: | C20 H26 N4 O | | SMILES: | CCN(CC)C(=O)NC3C=C2c4cccc1c4c(cn1)CC2N(C)C3 | | InChi: | InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1 | | Synonyms: | lisuride | | Definition date: | 2018-06-15 | | Last modified: | 2021-03-01 | | Release date: | 2018-08-29 | | Identifier: | N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea |
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 | | H8H | | Name: | N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE | | Formula: | C27 H32 Cl N5 O5 | | SMILES: | Clc2ccc1OCOc1c2Nc6ncnc5c6c(OC3CCOCC3)cc(OCCN4CCN(C)CC4)c5 | | InChi: | InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31) | | Synonyms: | SARACATINIB | | Definition date: | 2006-06-14 | | Last modified: | 2021-03-01 | | Identifier: | N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine |
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 | | H8J | | Name: | (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide | | Formula: | C21 H27 N3 O2 | | SMILES: | CCC(CO)NC(=O)C3C=C2c4cccc1c4c(cn1C)CC2N(C)C3 | | InChi: | InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | | Synonyms: | methysergide | | Definition date: | 2018-06-15 | | Last modified: | 2021-03-01 | | Release date: | 2018-08-29 | | Identifier: | (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide |
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 | | H8M | | Name: | (1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline | | Formula: | C21 H23 Cl N2 O2 | | SMILES: | COc4ccc(CC1c2c(CCN1)c3cc(C)ccc3n2)c(c4OC)Cl | | InChi: | InChI=1S/C21H23ClN2O2/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22/h4-7,10,17,23-24H,8-9,11H2,1-3H3/t17-/m0/s1 | | Synonyms: | LY266097 | | Definition date: | 2018-06-15 | | Last modified: | 2021-03-01 | | Release date: | 2018-08-29 | | Identifier: | (1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline |
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 | | HBN | | Name: | N-(2-NAPHTHYL)HISTIDINAMIDE | | Formula: | C16 H16 N4 O | | SMILES: | O=C(Nc2cc1ccccc1cc2)C(N)Cc3cncn3 | | InChi: | InChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m1/s1 | | Synonyms: | L-HISTIDINE BETA NAPHTHYLAMIDE | | Definition date: | 2004-04-05 | | Last modified: | 2021-03-01 | | Identifier: | N-naphthalen-2-yl-D-histidinamide |
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 | | HBV | | Name: | 3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide | | Formula: | C20 H27 F N2 O2 | | SMILES: | C(C13CC2CC(C1)CC(C2)C3)N(C)Cc4c(F)cc(C(=O)NO)cc4 | | InChi: | InChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)/t13-,14+,15-,20- | | Synonyms: | Bavarostat | | Definition date: | 2018-06-25 | | Last modified: | 2021-03-01 | | Release date: | 2018-08-29 | | Identifier: | 3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide |
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 | | HBY | | Name: | (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE | | Formula: | C15 H20 N2 O3 S2 | | SMILES: | S=C2Nc1c(cc(OC)cc1)N(C(=O)OC(C)C)C2CSC | | InChi: | InChI=1S/C15H20N2O3S2/c1-9(2)20-15(18)17-12-7-10(19-3)5-6-11(12)16-14(21)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,21)/t13-/m0/s1 | | Synonyms: | HBY 097 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 1-methylethyl (2S)-7-methoxy-2-[(methylsulfanyl)methyl]-3-thioxo-3,4-dihydroquinoxaline-1(2H)-carboxylate |
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 | | HC4 | | Name: | 4'-HYDROXYCINNAMIC ACID | | Formula: | C9 H8 O3 | | SMILES: | O=C(O)/C=C/c1ccc(O)cc1 | | InChi: | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ | | Synonyms: | PARA-COUMARIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
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 | | HC5 | | Name: | (R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-TRIMETHYLPROPAN-1-AMINIUM | | Formula: | C13 H26 N O4 | | SMILES: | O=C(O)CC(OC(=O)CCCCC)C[N+](C)(C)C | | InChi: | InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/p+1/t11-/m1/s1 | | Synonyms: | HEXANOYLCARNITINE | | Definition date: | 2006-05-26 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-3-carboxy-2-(hexanoyloxy)-N,N,N-trimethylpropan-1-aminium |
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 | | HCD | | Name: | (3alpha,8alpha)-cholest-5-ene-3,20-diol | | Formula: | C27 H46 O2 | | SMILES: | OC(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)(C)CCCC(C)C | | InChi: | InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1 | | Synonyms: | 20S-hydroxycholesterol | | Definition date: | 2010-06-02 | | Last modified: | 2021-03-01 | | Identifier: | (3alpha,8alpha)-cholest-5-ene-3,20-diol |
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 | | HCE | | Name: | {(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine | | Formula: | C16 H24 N6 O3 S | | SMILES: | O=C(O)C(N)CCSCC3CN(Cc2cnc1c2ncnc1N)CC3O | | InChi: | InChI=1S/C16H24N6O3S/c17-11(16(24)25)1-2-26-7-10-5-22(6-12(10)23)4-9-3-19-14-13(9)20-8-21-15(14)18/h3,8,10-12,19,23H,1-2,4-7,17H2,(H,24,25)(H2,18,20,21)/t10-,11+,12+/m1/s1 | | Synonyms: | homocysteine-DADMe-Immucillin-A | | Definition date: | 2012-05-11 | | Last modified: | 2021-03-01 | | Release date: | 2013-05-01 | | Identifier: | {(3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine |
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 | | HCM | | Name: | (2S)-2-amino-4-(methyldisulfanyl)butanoic acid | | Formula: | C5 H11 N O2 S2 | | SMILES: | O=C(O)C(N)CCSSC | | InChi: | InChI=1S/C5H11NO2S2/c1-9-10-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 | | Synonyms: | S-methylsulfanyl-homocystein | | Definition date: | 2012-12-18 | | Last modified: | 2021-03-01 | | Release date: | 2013-12-18 | | Identifier: | (2S)-2-amino-4-(methyldisulfanyl)butanoic acid |
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 | | HCY | | Name: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione | | Formula: | C21 H30 O5 | | SMILES: | O=C(CO)C3(O)C2(CC(O)C4C1(C(=CC(=O)CC1)CCC4C2CC3)C)C | | InChi: | InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | | Synonyms: | CORTISOL | | Definition date: | 2007-10-13 | | Last modified: | 2021-03-01 | | Identifier: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione |
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 | | HDC | | Name: | 3R-HYDROXYDECANOYL-COENZYME A | | Formula: | C31 H54 N7 O18 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CC(O)CCCCCCC | | InChi: | InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20-,24-,25-,26+,30-/m1/s1 | | Synonyms: | 3R-HYDROXYDECANOYL-COA | | Definition date: | 2003-06-17 | | Last modified: | 2021-03-01 | | Identifier: | S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3R)-3-hydroxydecanethioate (non-preferred name) |
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 | | HDG | | Name: | (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name) | | Formula: | C32 H42 N8 O5 | | SMILES: | C(CNCc1ccccc1)(CC2C(O)C(C(O2)n3cnc4c3ncnc4N)O)CCC(C(=O)NCCc5ccc(OC)cc5)N | | InChi: | InChI=1S/C32H42N8O5/c1-44-23-10-7-20(8-11-23)13-14-36-31(43)24(33)12-9-22(17-35-16-21-5-3-2-4-6-21)15-25-27(41)28(42)32(45-25)40-19-39-26-29(34)37-18-38-30(26)40/h2-8,10-11,18-19,22,24-25,27-28,32,35,41-42H,9,12-17,33H2,1H3,(H,36,43)(H2,34,37,38)/t22-,24+,25+,27+,28+,32+/m0/s1 | | Synonyms: | (R)-SKI-72 | | Definition date: | 2018-06-26 | | Last modified: | 2021-03-01 | | Release date: | 2018-07-25 | | Identifier: | (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name) |
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 | | HDL | | Name: | D-arabinohydroxamic acid | | Formula: | C5 H9 N O7 | | SMILES: | O=C(NO)C(O)C(O)C(O)C(=O)O | | InChi: | InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/t1-,2+,3+/m1/s1 | | Synonyms: | D-arabinohydroxamate | | Definition date: | 2009-05-26 | | Last modified: | 2021-03-01 | | Identifier: | 1-(hydroxyamino)-D-lyxuronic acid |
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 | | HEJ | | Name: | 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine | | Formula: | C10 H16 N5 O13 P3 | | SMILES: | Nc1ncnc2c1ncn2C3OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)O)C(O)C3O | | InChi: | InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1 | | Synonyms: | Vidarabine-TRIPHOSPHATE | | Definition date: | 2018-06-27 | | Last modified: | 2021-03-01 | | Release date: | 2018-10-24 | | Identifier: | 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine |
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 | | HF4 | | Name: | 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one | | Formula: | C9 H16 N3 O14 P3 | | SMILES: | C=1N(C(=O)N=C(N)C=1)C2C(C(C(COP(OP(OP(=O)(O)O)(O)=O)(O)=O)O2)O)O | | InChi: | InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1 | | Synonyms: | Cytarabine-TRIPHOSPHATE | | Definition date: | 2018-06-27 | | Last modified: | 2021-03-01 | | Release date: | 2018-10-10 | | Identifier: | 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one |
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