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Substance Name: Atorvastatin calcium trihydrate
RN: 344423-98-9
UNII: 48A5M73Z4Q
InChIKey: SHZPNDRIDUBNMH-NIJVSVLQSA-L

Notes

  • A pyrrole and heptanoic acid derivative,HYDROXYMETHYLGLUTARYL-COA REDUCTASE INHIBITOR (statin), and ANTICHOLESTEREMIC AGENT that is used to reduce serum levels of LDL-CHOLESTEROL; APOLIPOPROTEIN B; AND TRIGLYCERIDES and to increase serum levels of HDL-CHOLESTEROL in the treatment of HYPERLIPIDEMIAS and prevention of CARDIOVASCULAR DISEASES in patients with multiple risk factors.
  • Hydroxymethylglutaryl-CoA reductase inhibitor.

Molecular Formula

  • (C33-H34-F-N2-O5)2.3H2-O.Ca

Molecular Weight

  • 1209.3996
 

Classification Codes

  • Anticholesteremic Agents
  • Antimetabolites
  • Enzyme Inhibitors
  • Hydroxymethylglutaryl-CoA Reductase Inhibitors
  • Hypolipidemic Agents
  • Lipid Regulating Agents

Names and Synonyms

Results Name

  • Atorvastatin calcium trihydrate

Name of Substance

  • Atorvastatin calcium trihydrate
  • Atorvastatin calcium [USAN]

MeSH Heading

  • Atorvastatin Calcium

Synonyms

  • Atorvastatin calcium
  • Atorvastatin hemicalcium trihydrate
  • UNII-48A5M73Z4Q

Systematic Name

  • 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, calcium salt (2:1), trihydrate, (betaR,deltaR)-

Registry Numbers

CAS Registry Number

  • 344423-98-9

FDA UNII

  • 48A5M73Z4Q

Other Registry Numbers

  • 1035205-53-8
  • 1574495-40-1

System Generated Number

  • 0344423989

Molecular Formulas

Molecular Formula

  • (C33-H34-F-N2-O5)2.3H2-O.Ca

Molecular Formula Fragments

  • C33-H34-F-N2-O5
  • Ca
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C33H35FN2O5.Ca.3H2O/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;;;;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);;3*1H2/q;;+2;;;/p-2/t2*26-,27-;;;;/m11..../s1

InChIKey

SHZPNDRIDUBNMH-NIJVSVLQSA-L

Smiles

CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4.CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4.O.O.O.[Ca+2]