 | | 5FR | | Name: | 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe
ridin-4-yl)benzamide | | Formula: | C30 H34 Cl N7 O3 | | SMILES: | O=C(N)CCc1cc(cc(Cl)c1)n5nc(c2c5cc(nc2)Nc4ccc(C(=O)NC3CCN(C)CC3)cc4OC)C | | InChi: | InChI=1S/C30H34ClN7O3/c1-18-24-17-33-29(16-26(24)38(36-18)23-13-19(4-7-28(32)39)12-21(31)15-23)35-25-6-5-20(14-27(25)41-3)30(40)34-22-8-10-37(2)11-9-22/h5-6,12-17,22H,4,7-11H2,1-3H3,(H2,32,39)(H,33,35)(H,34,40) | | Synonyms: | 4-{1-[3-(2-carbamoyl-ethyl)-5-chloro-phenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-ylamino}-3-methoxy-N-(1-methyl-piperi
din-4-yl)-benzamide | | Definition date: | 2008-06-16 | | Last modified: | 2020-06-17 | | Identifier: | 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide |
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 | | 5G9 | | Name: | 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine | | Formula: | C17 H11 Cl N4 S | | SMILES: | n1c(ccc2ncccc12)c4c(c3cc(Cl)ccc3)nc(N)s4 | | InChi: | InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22) | | Synonyms: | GW780159X | | Definition date: | 2015-09-22 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-30 | | Identifier: | 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine |
|
 | | M0N | | Name: | (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID) | | Formula: | C9 H12 N2 O7 P2 | | SMILES: | O=P(O)(O)C(O)(P(=O)(O)O)Cc1cnc2ccccn12 | | InChi: | InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18) | | Synonyms: | MINODRONATE | | Definition date: | 2005-11-10 | | Last modified: | 2020-06-17 | | Identifier: | (1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid) |
|
 | | M14 | | Name: | 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide | | Formula: | C21 H14 Cl3 N3 O5 S | | SMILES: | Clc3cc(ccc3NC(=O)COc2cc(Oc1cc(C#N)cc(Cl)c1)cc(Cl)c2)S(=O)(=O)N | | InChi: | InChI=1S/C21H14Cl3N3O5S/c22-13-3-12(10-25)4-16(6-13)32-17-7-14(23)5-15(8-17)31-11-21(28)27-20-2-1-18(9-19(20)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30) | | Synonyms: | N-[4-(aminosulfonyl)-2-chlorophenyl]-2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]acetamide | | Definition date: | 2008-02-07 | | Last modified: | 2020-06-17 | | Identifier: | 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide |
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 | | 5H5 | | Name: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide | | Formula: | C19 H22 N6 O3 | | SMILES: | C(=O)(C(C)Oc4ccc3c1n(cc(n1)c2n(C(C)C)ncn2)CCOc3c4)N | | InChi: | InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1 | | Synonyms: | GDC-0326 | | Definition date: | 2015-09-24 | | Last modified: | 2020-06-17 | | Release date: | 2016-01-27 | | Identifier: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide |
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 | | 5HM | | Name: | 5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate) | | Formula: | C10 H16 N3 O9 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(=C1)CO)C(O)C2O | | InChi: | InChI=1S/C10H16N3O9P/c11-8-4(2-14)1-13(10(17)12-8)9-7(16)6(15)5(22-9)3-21-23(18,19)20/h1,5-7,9,14-16H,2-3H2,(H2,11,12,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1 | | Synonyms: | 5-hydroxymethylcytidine 5'-monophosphate | | Definition date: | 2014-01-22 | | Last modified: | 2020-06-17 | | Release date: | 2014-06-25 | | Identifier: | 5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate) |
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 | | M28 | | Name: | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | | Formula: | C9 H11 N O4 S | | SMILES: | O=S(=O)(c1ccc(cc1)CCC(=O)O)N | | InChi: | InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14) | | Synonyms: | P-CARBOXYETHYLBENZENESULFONAMIDE | | Definition date: | 2006-10-27 | | Last modified: | 2020-06-17 | | Identifier: | 3-(4-sulfamoylphenyl)propanoic acid |
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 | | 5HV | | Name: | N-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[
4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide | | Formula: | C36 H38 F4 N4 O2 S | | SMILES: | CCN(CC)CCN(Cc2ccc(c1ccc(C(F)(F)F)cc1)cc2)C(=O)CN3C(=NC(C4=C3CCC4)=O)SCc5ccc(cc5)F | | InChi: | InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3 | | Synonyms: | Darapladib | | Definition date: | 2015-09-28 | | Last modified: | 2020-06-17 | | Release date: | 2016-06-15 | | Identifier: | N-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide |
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 | | 5I5 | | Name: | 7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE | | Formula: | C11 H13 I N4 O3 | | SMILES: | Ic2c1c(ncnc1n(c2)C3OC(C(O)C3O)C)N | | InChi: | InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1 | | Synonyms: | 5'-DEOXY-5-IODOTUBERCIDIN | | Definition date: | 2006-10-20 | | Last modified: | 2020-06-17 | | Identifier: | 7-(5-deoxy-beta-D-ribofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | 5ID | | Name: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL | | Formula: | C11 H13 I N4 O4 | | SMILES: | Ic2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N | | InChi: | InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1 | | Synonyms: | 5-IODOTUBERCIDIN | | Definition date: | 2005-10-16 | | Last modified: | 2020-06-17 | | Identifier: | 5-iodo-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | 5J6 | | Name: | methyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate | | Formula: | C20 H18 Br F N4 O3 S | | SMILES: | Fc1cc(Br)c(cc1)c3nc(c2sccn2)nc(c3C(OC)=O)CN4CCOCC4 | | InChi: | InChI=1S/C20H18BrFN4O3S/c1-28-20(27)16-15(11-26-5-7-29-8-6-26)24-18(19-23-4-9-30-19)25-17(16)13-3-2-12(22)10-14(13)21/h2-4,9-10H,5-8,11H2,1H3 | | Synonyms: | NVR10-001E2 | | Definition date: | 2015-09-29 | | Last modified: | 2020-06-17 | | Release date: | 2015-12-09 | | Identifier: | methyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate |
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 | | 5JK | | Name: | 7alpha-hydroxycholesterol | | Formula: | C27 H46 O2 | | SMILES: | CC34CCC2C1(CCC(O)CC1=CC(C2C3CCC4C(C)CCCC(C)C)O)C | | InChi: | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1 | | Synonyms: | (3beta,7alpha,9beta,14beta)-cholest-5-ene-3,7-diol | | Definition date: | 2015-10-02 | | Last modified: | 2020-06-17 | | Release date: | 2016-04-13 | | Identifier: | (3beta,7alpha,9beta,14beta)-cholest-5-ene-3,7-diol |
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 | | 5JO | | Name: | 2'-O-prop-2-yn-1-yladenosine 5'-(dihydrogen phosphate) | | Formula: | C13 H16 N5 O7 P | | SMILES: | O(CC1C(O)C(OCC#C)C(O1)n2c3c(nc2)c(N)ncn3)P(O)(O)=O | | InChi: | InChI=1S/C13H16N5O7P/c1-2-3-23-10-9(19)7(4-24-26(20,21)22)25-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h1,5-7,9-10,13,19H,3-4H2,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,13-/m1/s1 | | Synonyms: | 2'-Propargyl-Adenosine | | Definition date: | 2015-10-02 | | Last modified: | 2020-06-17 | | Release date: | 2015-12-02 | | Identifier: | 2'-O-prop-2-yn-1-yladenosine 5'-(dihydrogen phosphate) |
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 | | M4Y | | Name: | parthenolide | | Formula: | C15 H20 O3 | | SMILES: | C1(=C)C(=O)OC2C3C(C)(CCC=C(C)CCC12)O3 | | InChi: | InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1 | | Synonyms: | (1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1
aH)-one | | Definition date: | 2019-03-25 | | Last modified: | 2020-06-17 | | Release date: | 2019-06-26 | | Identifier: | (1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one |
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 | | M51 | | Name: | {(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone | | Formula: | C22 H30 N6 O S | | SMILES: | O=C(N1CCSC1)C5NCC(N4CCN(c3cc(nn3c2ccccc2)C)CC4)C5 | | InChi: | InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1 | | Synonyms: | Teneligliptin | | Definition date: | 2011-11-08 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-19 | | Identifier: | {(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone |
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 | | 5KY | | Name: | 2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid | | Formula: | C16 H14 F3 N3 O3 | | SMILES: | c1(c(cc(cc1)C)NC(=O)Nc2ccc(C(F)(F)F)cc2N)C(O)=O | | InChi: | InChI=1S/C16H14F3N3O3/c1-8-2-4-10(14(23)24)13(6-8)22-15(25)21-12-5-3-9(7-11(12)20)16(17,18)19/h2-7H,20H2,1H3,(H,23,24)(H2,21,22,25) | | Synonyms: | BF174 | | Definition date: | 2015-10-15 | | Last modified: | 2020-06-17 | | Release date: | 2016-10-26 | | Identifier: | 2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid |
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 | | 5L8 | | Name: | (2~{R})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol | | Formula: | C14 H15 Cl2 N3 O | | SMILES: | O[C](Cn1cncn1)(Cc2ccccc2Cl)C3(Cl)CC3 | | InChi: | InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2/t14-/m1/s1 | | Synonyms: | R-desthio-prothioconazole | | Definition date: | 2015-10-19 | | Last modified: | 2020-06-17 | | Release date: | 2016-02-10 | | Identifier: | (2~{R})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol |
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 | | 5LU | | Name: | Prochloraz | | Formula: | C15 H16 Cl3 N3 O2 | | SMILES: | CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2 | | InChi: | InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3 | | Synonyms: | ~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide | | Definition date: | 2015-10-21 | | Last modified: | 2020-06-17 | | Release date: | 2016-02-10 | | Identifier: | ~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide |
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 | | 5LW | | Name: | 1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole | | Formula: | C19 H17 Cl2 N3 O3 | | SMILES: | C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl | | InChi: | InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19+/m0/s1 | | Synonyms: | Difenoconazole | | Definition date: | 2015-10-21 | | Last modified: | 2020-06-17 | | Release date: | 2016-02-10 | | Identifier: | 1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole |
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 | | 5LX | | Name: | 1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole | | Formula: | C19 H17 Cl2 N3 O3 | | SMILES: | C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl | | InChi: | InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19-/m0/s1 | | Synonyms: | Difenoconazole | | Definition date: | 2015-10-21 | | Last modified: | 2020-06-17 | | Release date: | 2016-02-10 | | Identifier: | 1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole |
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 | | DLW | | Name: | (5~{S})-2-[(~{E})-~{N}-(2-ethoxyphenyl)-~{C}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one | | Formula: | C22 H23 N O3 | | SMILES: | CCOc1ccccc1N=C(C)C2=C(O)C[CH](CC2=O)c3ccccc3 | | InChi: | InChI=1S/C22H23NO3/c1-3-26-21-12-8-7-11-18(21)23-15(2)22-19(24)13-17(14-20(22)25)16-9-5-4-6-10-16/h4-12,17,24H,3,13-14H2,1-2H3/b23-15+/t17-/m0/s1 | | Synonyms: | KNI-10075 | | Definition date: | 2018-01-24 | | Last modified: | 2020-06-17 | | Release date: | 2018-03-21 | | Identifier: | (5~{S})-2-[(~{E})-~{N}-(2-ethoxyphenyl)-~{C}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one |
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 | | DLZ | | Name: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol | | Formula: | C13 H18 N4 O6 | | SMILES: | O=C2N=C1N(C(=C(N=C1C(=O)N2)C)C)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)/t7-,8+,10-/m0/s1 | | Synonyms: | 6,7-dimethyl-8-(1'-D-ribityl) lumazine | | Definition date: | 2009-06-16 | | Last modified: | 2020-06-17 | | Identifier: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol |
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 | | DM1 | | Name: | DAUNOMYCIN | | Formula: | C27 H29 N O10 | | SMILES: | O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC5OC4OC(C(O)C(N)C4)C | | InChi: | InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1 | | Synonyms: | DAUNORUBICIN | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside |
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 | | DM5 | | Name: | IDARUBICIN | | Formula: | C26 H27 N O9 | | SMILES: | O=C2c1c(O)c5c(c(O)c1C(=O)c3ccccc23)CC(O)(C(=O)C)CC5OC4OC(C(O)C(N)C4)C | | InChi: | InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1 | | Synonyms: | 4-DEMETHOXY-DAUNORUBICIN | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside |
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 | | DM7 | | Name: | 4'-DEOXY-4'-IODODOXORUBICIN | | Formula: | C27 H29 I N O10 | | SMILES: | O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)CO)CC5OC4OC(C(I)C(C4)[NH3+])C | | InChi: | InChI=1S/C27H28INO10/c1-10-22(28)13(29)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,30,33,35-36H,6-9,29H2,1-2H3/p+1/t10-,13-,15-,17-,22+,27-/m0/s1 | | Synonyms: | 4'-DEOXY-4'-IODOADRIAMYCIN | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S,3S,4S,6R)-3-iodo-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}tetrahydro-2H-pyran-4-aminium |
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