Locicortolone
HIT212717037
sdf文件结构编辑类似物检索
HIT ID: HIT212717037
Cas No: 65049-45-8
分子式: C22H28Cl2O3
分子量: 411.36
常用名: Locicortolone
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 4.169133
IUPAC: (1S,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b,10-dichloro-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC: (1S,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b,10-dichloro-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES: [H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](Cl)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:27,t:23|
SMILES: [H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](Cl)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:27,t:23|
InChI key: FKRMBGXNTOTQDI-IIEHVVJPSA-N
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