Chemical Compound

(3S,5R)-Atorvastatin Calcium Salt

CAS Registry Number 887196-25-0
(3S,5R)-Atorvastatin Calcium Salt 结构式
Primary record

(3S,5R)-Atorvastatin Calcium Salt

库存
7,654 克
纯度
99.3 %
CAS
887196-25-0

化合物标识与属性

CAS
887196-25-0
PubChem CID
131699333
SMILES
CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])[O-])[O-])C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2].[Ca+2]
Canonical SMILES
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]([O-])C[C@@H]([O-])CC(=O)[O-].[Ca+2].[Ca+2]

名称与同义词

  • (3S,5R)-Atorvastatin Calcium Salt
  • 887196-25-0