Megestrol
HIT212674045
sdf文件结构编辑类似物检索
HIT ID: HIT212674045
Cas No: 3562-63-8
分子式: C22H30O3
分子量: 342.479
常用名: Megestrol
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 3.282619
IUPAC: (1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-1-hydroxy-5,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC: (1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-1-hydroxy-5,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES: [H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C |t:19,22|
SMILES: [H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C |t:19,22|
InChI key: VXIMPSPISRVBPZ-NWUMPJBXSA-N
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