基本信息
产品名称 |
8-(4-溴-2,3-二氧代丁硫基)烟酰胺腺嘌呤二核苷酸 |
英文名 |
8-(4-Bromo-2,3-dioxobutylthio)nicotinamide adenine dinucleotide |
别名 |
[(2R,3S,4R)-5-[(7S)-4-Amino-6-(4-Bromo-2,3-Dioxo-Butyl)Sulfanyl-7H-Pyrrolo[5,4-E]Pyrimidin-7-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate; 1-[(3R,4S,5R)-5-Ethyl-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Pyridin-1-Ium-3-Carboxamide; [(2R,3S,4R)-5-[(7S)-4-Amino-6-[(4-Bromo-2,3-Dioxobutyl)Thio]-7H-Pyrrolo[5,4-E]Pyrimidin-7-Yl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Phosphono Hydrogen Phosphate; 1-[(3R,4S,5R)-5-Ethyl-3,4-Dihydroxy-2-Tetrahydrofuranyl]-3-Pyridin-1-Iumcarboxamide; [(2R,3S,4R)-5-[(7S)-4-Amino-6-[(4-Bromo-2,3-Diketo-Butyl)Thio]-7H-Pyrrolo[5,4-E]Pyrimidin-7-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate; 1-[(3R,4S,5R)-5-Ethyl-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Pyridin-1-Ium-3-Carboxamide |
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分子结构 |
 |
分子式 |
C27H36BrN6O16P2S |
分子量 |
874.52 |
CAS 登录号 |
154591-46-5 |
分子行输入简码 SMILES |
[N+]1(=CC=CC(=C1)C(=O)N)C2O[C@@H]([C@@H](O)[C@H]2O)CC.[C@H]4(C3=NC=NC(=C3N=C4SCC(=O)C(=O)CBr)N)C5O[C@@H]([C@@H](O)[C@H]5O)CO[P](O[P](=O)(O)O)(=O)O |
国际化学标识码 InChI |
1S/C15H19BrN4O12P2S.C12H16N2O4/c16-1-5(21)6(22)3-35-15-8(9-10(20-15)14(17)19-4-18-9)13-12(24)11(23)7(31-13)2-30-34(28,29)32-33(25,26)27;1-2-8-9(15)10(16)12(18-8)14-5-3-4-7(6-14)11(13)17/h4,7-8,11-13,23-24H,1-3H2,(H,28,29)(H2,17,18,19)(H2,25,26,27);3-6,8-10,12,15-16H,2H2,1H3,(H-,13,17)/p+1/t7-,8+,11-,12-,13?;8-,9-,10-,12?/m11/s1 |
国际化学标识检索码 InChIKey |
XUUGVPBJGOABMI-BDYRSLACSA-O |
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