HIT ID: HIT212650717
Cas No: 134523-03-8
分子式: C66H68CaF2N4O10
分子量: 1155.363
常用名: Atorvastatin hemicalcium salt
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 5.387147
IUPAC: calcium bis(7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate)
IUPAC: calcium bis(7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate)
SMILES: [Ca++].CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC([O-])=O)-c1ccccc1.CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC([O-])=O)-c1ccccc1
SMILES: [Ca++].CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC([O-])=O)-c1ccccc1.CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC([O-])=O)-c1ccccc1
InChI key: FQCKMBLVYCEXJB-UHFFFAOYSA-L
