Molecular Identity
Atorvastatin Calcium
calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate)
PubChem CID: 60822
Atorvastatin calcium is an organic calcium salt composed of calcium cations and atorvastatin anions in a 1:2 ratio. It contains an atorvastatin(1-).
2D Structure
Properties
C66H68CaF2N4O10
Molecular Formula
1155.30
Molecular Weight
g/mol
1154.4529
Exact Mass
Da
229
TPSA
May have limited oral absorption
6
H-Bond Donors
12
H-Bond Acceptors
817
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1=C(C(=C(N1CCC(CC(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(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]Isomeric SMILES
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]Synonyms(20)
ATORVASTATIN CALCIUM134523-03-8TahorAtorvastatin calcium anhydrousCI-981LiprimarC0GEJ5QCSODTXSID6044303Atorvastatin calcium (anhydrous)NSC-758617Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2)DTXCID4024303CHEBI:50686Atorvastatin calcium salt anhydrousDengue Kill
Data from PubChem (NCBI)
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