 | | SI3 | | Name: | 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid | | Formula: | C11 H19 N O9 | | SMILES: | O=C(O)C(=O)CC(O)C(NC(=O)C)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1 | | Synonyms: | N-acetylneuraminic acid, ketone form | | Definition date: | 2013-01-04 | | Last modified: | 2020-06-17 | | Release date: | 2013-11-06 | | Identifier: | 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid |
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 | | RB3 | | Name: | (1R)-3-{[(1R)-3-METHOXY-1-METHYL-3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-3-HYDROXYBUTANOATE | | Formula: | C13 H22 O7 | | SMILES: | O=C(OC(C)CC(=O)OC(CC(=O)OC)C)CC(O)C | | InChi: | InChI=1S/C13H22O7/c1-8(14)5-12(16)19-10(3)7-13(17)20-9(2)6-11(15)18-4/h8-10,14H,5-7H2,1-4H3/t8-,9-,10-/m1/s1 | | Synonyms: | METHYL (3R)-3-{[(3R)-3-{[(3R)-3-HYDROXYBUTANOYL]OXY}BUTANOYL]OXY}BUTANOATE | | Definition date: | 2005-12-27 | | Last modified: | 2020-06-17 | | Identifier: | (1R)-3-{[(1R)-3-methoxy-1-methyl-3-oxopropyl]oxy}-1-methyl-3-oxopropyl (3R)-3-hydroxybutanoate |
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 | | RB6 | | Name: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr
rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C20 H24 N8 O6 S2 | | SMILES: | O=C(O)C=1NC(SCC=1CC2=CCN(C2=O)C3CCNC3)C(C=O)NC(=O)C(=NO)/c4nc(sn4)N | | InChi: | InChI=1S/C20H24N8O6S2/c21-20-25-15(27-36-20)14(26-34)16(30)23-12(7-29)17-24-13(19(32)33)10(8-35-17)5-9-2-4-28(18(9)31)11-1-3-22-6-11/h2,7,11-12,17,22,24,34H,1,3-6,8H2,(H,23,30)(H,32,33)(H2,21,25,27)/b26-14-/t11-,12-,17-/m1/s1 | | Synonyms: | BAL 9141, bound form | | Definition date: | 2012-04-20 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyrrolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | 0G4 | | Name: | [[[[(2R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy
-oxidanyl-phosphoryl]amino]phosphonic acid | | Formula: | C8 H14 F N4 O11 P3 S | | SMILES: | NC1=NC(=O)N(C=C1F)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)O2 | | InChi: | InChI=1S/C8H14FN4O11P3S/c9-4-1-13(8(14)11-7(4)10)5-3-28-6(23-5)2-22-27(20,21)24-26(18,19)12-25(15,16)17/h1,5-6H,2-3H2,(H,20,21)(H2,10,11,14)(H4,12,15,16,17,18,19)/t5-,6+/m0/s1 | | Synonyms: | dCTP analog | | Definition date: | 2012-01-06 | | Last modified: | 2020-06-17 | | Release date: | 2014-08-27 | | Identifier: | [[[[(2R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid |
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 | | ROV | | Name: | nevanimibe | | Formula: | C27 H39 N3 O | | SMILES: | C(C)(C)c1c(c(C(C)C)ccc1)NC(=O)NCC2(CCCC2)c3ccc(cc3)N(C)C | | InChi: | InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31) | | Synonyms: | N-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)-N'-[2,6-di(propan-2-yl)phenyl]urea | | Definition date: | 2020-02-18 | | Last modified: | 2020-06-17 | | Release date: | 2020-05-13 | | Identifier: | N-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)-N'-[2,6-di(propan-2-yl)phenyl]urea |
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 | | RBE | | Name: | 3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID | | Formula: | C15 H17 N O4 | | SMILES: | [O-]C(=O)C3C1[NH2+]C(CC1)CC3OC(=O)c2ccccc2 | | InChi: | InChI=1S/C15H17NO4/c17-14(18)13-11-7-6-10(16-11)8-12(13)20-15(19)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,17,18)/t10-,11+,12-,13+/m0/s1 | | Synonyms: | NOR-BENZOYLECGONINE | | Definition date: | 2003-11-20 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,3S,5S)-3-[(phenylcarbonyl)oxy]-8-azoniabicyclo[3.2.1]octane-2-carboxylate |
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 | | TQ8 | | Name: | N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide | | Formula: | C17 H18 Cl N O3 S | | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CCl | | InChi: | InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1 | | Synonyms: | CAS329306 | | Definition date: | 2010-11-17 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide |
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 | | RP1 | | Name: | 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL | | Formula: | C10 H12 N5 O5 P S | | SMILES: | S=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O | | InChi: | InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21-/m1/s1 | | Synonyms: | RP-ADENOSINE-3',5'-CYCLIC-MONOPHOSPHOROTHIOATE | | Definition date: | 2002-12-13 | | Last modified: | 2020-06-17 | | Identifier: | (2R,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide |
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 | | RP2 | | Name: | (2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol
2-sulfide | | Formula: | C10 H11 Br N5 O5 P S | | SMILES: | Brc2nc1c(ncnc1n2C4OC3COP(=S)(OC3C4O)O)N | | InChi: | InChI=1S/C10H11BrN5O5PS/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(20-9)1-19-22(18,23)21-6/h2-3,5-6,9,17H,1H2,(H,18,23)(H2,12,13,14)/t3-,5-,6-,9-,22-/m1/s1 | | Synonyms: | 8-Bromoadenosine-3',5'-cyclic monophosphorothioate | | Definition date: | 2010-11-21 | | Last modified: | 2020-06-17 | | Identifier: | (2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide |
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 | | LL2 | | Name: | 5-benzyl-1,3-thiazol-2-amine | | Formula: | C10 H10 N2 S | | SMILES: | n1cc(sc1N)Cc2ccccc2 | | InChi: | InChI=1S/C10H10N2S/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,12) | | Synonyms: | 5-Benzyl-thiazol-2-ylmaine | | Definition date: | 2008-07-03 | | Last modified: | 2020-06-17 | | Identifier: | 5-benzyl-1,3-thiazol-2-amine |
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 | | POV | | Name: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | | Formula: | C42 H82 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m0/s1 | | Synonyms: | POPC | | Definition date: | 2010-03-17 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate |
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 | | PAD | | Name: | 5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE | | Formula: | C21 H27 N7 O14 P2 | | SMILES: | NC(=O)c1cccc([nH+]1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H27N7O14P2/c22-18-12-20(25-6-24-18)28(7-26-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-2-1-3-9(27-8)19(23)33/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,17+,21-/m1/s1 | | Synonyms: | CPAD | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3S,4R,5S)-5-(6-aminocarbonylpyridin-1-ium-2-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate |
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 | | QI9 | | Name: | Quinine | | Formula: | C20 H24 N2 O2 | | SMILES: | O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(/C=C)C3)cc4)C | | InChi: | InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1 | | Synonyms: | (3alpha,8alpha,9R)-6'-methoxycinchonan-9-ol | | Definition date: | 2014-10-15 | | Last modified: | 2020-06-17 | | Release date: | 2015-01-14 | | Identifier: | (3alpha,8alpha,9R)-6'-methoxycinchonan-9-ol |
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 | | VDZ | | Name: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIO
L | | Formula: | C27 H44 O3 | | SMILES: | OC3/C(=C)C(O)CC(=CC=C1/CCCC2(C1CCC2C(C)CCCC(O)(C)C)C)C3 | | InChi: | InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22+,23-,24+,25+,27+/m0/s1 | | Synonyms: | 2-METHYLENE-19-NOR-(20S)-1ALPHA,25-DIHYDROXY-VITAMIN D3 | | Definition date: | 2003-12-17 | | Last modified: | 2020-06-17 | | Identifier: | (1R,3R,7E,17beta)-17-[(1S)-5-hydroxy-1,5-dimethylhexyl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol |
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 | | RBV | | Name: | 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide | | Formula: | C8 H12 N4 O5 | | SMILES: | O=C(c1ncn(n1)C2OC(C(O)C2O)CO)N | | InChi: | InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1 | | Synonyms: | Ribavirin | | Definition date: | 2011-06-25 | | Last modified: | 2020-06-17 | | Identifier: | 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide |
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 | | KTP | | Name: | (2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID | | Formula: | C22 H17 O4 P | | SMILES: | O=C(c2cc1ccccc1cc2)C(c4cccc3ccccc34)P(=O)(O)O | | InChi: | InChI=1S/C22H17O4P/c23-21(18-13-12-15-6-1-2-8-17(15)14-18)22(27(24,25)26)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,22H,(H2,24,25,26)/t22-/m1/s1 | | Synonyms: | BIS-NAPTHYL BETA-KETOPHOSPHONIC ACID | | Definition date: | 2002-02-14 | | Last modified: | 2020-06-17 | | Identifier: | [(1R)-1-naphthalen-1-yl-2-naphthalen-2-yl-2-oxoethyl]phosphonic acid |
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 | | KTR | | Name: | (1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid | | Formula: | C15 H13 N O3 | | SMILES: | O=C(O)C3c2ccc(C(=O)c1ccccc1)n2CC3 | | InChi: | InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/s1 | | Synonyms: | Ketorolac | | Definition date: | 2012-08-30 | | Last modified: | 2020-06-17 | | Release date: | 2012-09-14 | | Identifier: | (1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid |
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 | | LLL | | Name: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR
OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL | | Formula: | C19 H39 N5 O7 | | SMILES: | O(C2C(O)C(OC1OC(CN)CCC1N)C(N)CC2N)C3OCC(O)(C(NC)C3O)C | | InChi: | InChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1 | | Synonyms: | GENTAMICIN C1A | | Definition date: | 2005-11-02 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside |
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 | | LLM | | Name: | Laulimalide | | Formula: | C30 H42 O7 | | SMILES: | O=C3OC(C(O)/C=C/C1OCC=C(C)C1)CC4OC4C(O)CC(=C)CC(C)CC2OC(C=CC2)CC=C3 | | InChi: | InChI=1S/C30H42O7/c1-19-12-13-34-23(15-19)10-11-25(31)27-18-28-30(37-28)26(32)17-21(3)14-20(2)16-24-8-4-6-22(35-24)7-5-9-29(33)36-27/h4-6,9-12,20,22-28,30-32H,3,7-8,13-18H2,1-2H3/b9-5-,11-10+/t20-,22-,23+,24-,25-,26-,27-,28-,30-/m0/s1 | | Synonyms: | (1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-{(1S,2E)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-en-1-yl
}-3-methyl-5-methylidene-9,13,22-trioxatricyclo[16.3.1.0~8,10~]docosa-15,19-dien-14-one | | Definition date: | 2014-01-27 | | Last modified: | 2020-06-17 | | Release date: | 2014-03-05 | | Identifier: | (1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-{(1S,2E)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-en-1-yl}-3-methyl-5-methylidene-9,13,22-trioxatricyclo[16.3.1.0~8,10~]docosa-15,19-dien-14-one |
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 | | RCA | | Name: | 6-{[4-(HYDROXYMETHYL)-5-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDIN-5-YL]METHYL}-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE | | Formula: | C12 H16 N4 O5 | | SMILES: | O=C1NC(CO)C(C(=O)N1)(C)CC2=C(C(=O)NC(=O)N2)C | | InChi: | InChI=1S/C12H16N4O5/c1-5-6(13-10(20)15-8(5)18)3-12(2)7(4-17)14-11(21)16-9(12)19/h7,17H,3-4H2,1-2H3,(H2,13,15,18,20)(H2,14,16,19,21)/t7-,12+/m0/s1 | | Synonyms: | HYDROXYMETHYL-HYDROTHYMYL-THYMINE | | Definition date: | 2000-05-24 | | Last modified: | 2020-06-17 | | Identifier: | 6-{[(4R,5R)-4-(hydroxymethyl)-5-methyl-2,6-dioxohexahydropyrimidin-5-yl]methyl}-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | KU2 | | Name: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4
-carboxamide | | Formula: | C25 H25 Cl N4 O5 S | | SMILES: | C(CSc1c(cccc1)Cl)(N4C(C=3NC(C(=C(C(=O)NCCOc2ccccc2)N=3)O)=O)CCC4)=O | | InChi: | InChI=1S/C25H25ClN4O5S/c26-17-9-4-5-11-19(17)36-15-20(31)30-13-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-12-14-35-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1 | | Synonyms: | SRI-30023 | | Definition date: | 2017-06-27 | | Last modified: | 2020-06-17 | | Release date: | 2017-12-27 | | Identifier: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide |
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 | | KU3 | | Name: | (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone | | Formula: | C19 H17 F N2 O3 | | SMILES: | CC(C)c3cc(C(N1Cc2c(C1)ccc(c2)F)=O)c(O)c4c3onc4 | | InChi: | InChI=1S/C19H17FN2O3/c1-10(2)14-6-15(17(23)16-7-21-25-18(14)16)19(24)22-8-11-3-4-13(20)5-12(11)9-22/h3-7,10,23H,8-9H2,1-2H3 | | Synonyms: | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone | | Definition date: | 2017-01-10 | | Last modified: | 2020-06-17 | | Release date: | 2018-01-10 | | Identifier: | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone |
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 | | TR5 | | Name: | 5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine | | Formula: | C13 H17 N6 O7 P | | SMILES: | O=P(O)(O)OCC4OC(n1cc2C(=NN(c3ncnc1c23)C)N)C(O)C4O | | InChi: | InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1 | | Synonyms: | Triciribine phosphate | | Definition date: | 2012-07-13 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-28 | | Identifier: | 5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine |
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 | | HFD | | Name: | 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a
mine | | Formula: | C10 H15 F N5 O13 P3 | | SMILES: | O=P(OCC1OC(C(C1O)O)n3c2c(c(nc(n2)F)N)nc3)(O)OP(OP(O)(O)=O)(O)=O | | InChi: | InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1 | | Synonyms: | Fludarabine-TRIPHOSPHATE | | Definition date: | 2018-06-27 | | Last modified: | 2020-06-17 | | Release date: | 2018-10-10 | | Identifier: | 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine |
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 | | TEJ | | Name: | (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one | | Formula: | C27 H38 O4 | | SMILES: | O=C/4OC(CC(C3C2(C)C(C(=CC=C1/C(=C)C(O)CC(O)C1)CCC2)CC3)C)CC4=C | | InChi: | InChI=1S/C27H38O4/c1-16(12-22-13-17(2)26(30)31-22)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-14-21(28)15-25(29)18(20)3/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b19-7+,20-8-/t16-,21+,22-,23+,24-,25-,27+/m0/s1 | | Synonyms: | (23S)-25-dehydro-1alpha-hydroxyvitamin D3-26,23-lactone | | Definition date: | 2009-05-21 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one |
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