Finasteride-d9
HIT212099300
sdf文件结构编辑类似物检索
HIT ID: HIT212099300
Cas No: 1217547-06-2
分子式: C23H36N2O2
分子量: 381.608
常用名: Finasteride-d9
氢键受体数 (HBA): 2
氢键供体数 (HBD): 2
LogP: 3.073512
IUPAC: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-dimethyl-N-[2-(2H3)methyl(1,1,1,3,3,3-2H6)propan-2-yl]-2-oxo-1H,2H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH,10H,11H,11aH-indeno[5,4-f]quinoline-7-carboxamide
IUPAC: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-dimethyl-N-[2-(2H3)methyl(1,1,1,3,3,3-2H6)propan-2-yl]-2-oxo-1H,2H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH,10H,11H,11aH-indeno[5,4-f]quinoline-7-carboxamide
SMILES: [H][C@@]12CC[C@H](C(=O)NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C |c:38|
SMILES: [H][C@@]12CC[C@H](C(=O)NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C |c:38|
InChI key: DBEPLOCGEIEOCV-BSRKVXQGSA-N
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