Chemical Compound

Lipitor

CAS Registry Number 222412-82-0
Lipitor chemical structure
Primary Record

Lipitor

In stock
3,291 g
Purity
98.6 %
CAS
222412-82-0

Compound Identifiers & Properties

CAS
222412-82-0
PubChem CID
10820136
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C4=CC=C(C=C4)F)[2H])[2H].[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C4=CC=C(C=C4)F)[2H])[2H].[Ca+2]
Canonical SMILES
[2H]c1c([2H])c([2H])c(-c2c(C(=O)Nc3ccccc3)c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c2ccc(F)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c(C(=O)Nc3ccccc3)c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c2ccc(F)cc2)c([2H])c1[2H].[Ca+2]

Names & Synonyms

  • Lipitor
  • Atorvastatin-d5 Calcium Salt
  • orb2299858
  • Atorvastatin-d5 (calcium salt)
  • CID10820136
  • 222412-82-0
  • 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-ss,d-dihydroxy-5-(1-methylethyl)-3-(phenyl-d5)-4-[(phenylamino)carbonyl]-, calcium salt (2:1), (ssR,dR)- (9CI); Atorvastatin-d5 calcium salt; (3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-(phenyl-d5)-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid calcium salt; (ssR,dR)-2-(p-Fluorophenyl)-ss,d-dihydroxy-5-isopropyl-3-(phenyl-d5)-4-(phenylcarbamoyl)pyrrole-1-heptanoic acid calcium salt; Atorvastatin-D5 calcium salt (3-phenyl-D5)