Chemical Compound

atorvastatin calcium trihydrate

CAS Registry Number 344423-98-9
atorvastatin calcium trihydrate chemical structure
Primary Record

atorvastatin calcium trihydrate

In stock
4,011 g
Purity
98.6 %
CAS
344423-98-9

Compound Identifiers & Properties

CAS
344423-98-9
PubChem CID
18183309
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.O.O.O.[Ca+2]
Canonical SMILES
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)[O-].O.O.O.[Ca+2]

Names & Synonyms

  • atorvastatin calcium trihydrate
  • ATORVASTATIN CALCIUM
  • SCHEMBL27850403
  • Atorvastatin calcium salt trihydrate
  • 344423-98-9
  • calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate;trihydrate
  • Calcium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate trihydrate
  • calcium bis(7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxyheptanoate) trihydrate