HIT ID: HIT217659678
Cas No: 265989-44-4
分子式: C66H68CaF2N4O12
分子量: 1187.361
常用名: 4-Hydroxy Atorvastatin calcium salt
常用名: 4-Hydroxy Atorvastatin calcium salt
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate)
IUPAC: calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate)
SMILES: [Ca++].CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1.CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
SMILES: [Ca++].CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1.CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
InChI key: PYIWEMFVBXVPDU-MNSAWQCASA-L
