(3S,5R,6E) Rosuvastatin Calcium Salt (2:1)

Compound Identifiers & Properties

CAS

2414245-11-5

PubChem CID

171921203

SMILES

CC(C)C1=C(C(=NC(=N1)N(C)S(=O)(=O)C)/C(=C/C=C)/C)/C=C/[C@H]([C@H](CC(=O)O)O)O.CC(C)C1=NC(=NC(=C1/C=C/[C@H]([C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Ca+2]

Canonical SMILES

C=C/C=C(\C)c1nc(N(C)S(C)(=O)=O)nc(C(C)C)c1/C=C/[C@@H](O)[C@@H](O)CC(=O)O.CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)[C@@H](O)CC(=O)O.[Ca+2]