HIT ID: HIT217620902
Cas No:
分子式: C44H54CaF2N6O12S2
分子量: 1001.14
常用名: (3R,5R)-Rosuvastatin calcium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: calcium bis((3R,5R,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate)
IUPAC: calcium bis((3R,5R,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate)
SMILES: [Ca++].CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O.CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O
SMILES: [Ca++].CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O.CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O
InChI key: LALFOYNTGMUKGG-UJPABJLRSA-L
