Calcium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate trihydrate

Base Information

• Chemical Name: Calcium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate trihydrate
• CAS No.: 344423-98-9
• Molecular Formula: C33H35FN2O5.1/2 Ca.3/2H2O
• Molecular Weight: 1209.3875664
• Hs Code.: 2933995300
• European Community (EC) Number: 686-242-3
• RXCUI: 1297766
• Mol file: 344423-98-9.mol

Synonyms:(3R,5R)-7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid;atorvastatin;atorvastatin calcium;atorvastatin calcium anhydrous;atorvastatin calcium hydrate;atorvastatin calcium trihydrate;atorvastatin, calcium salt;CI 981;CI-981;CI981;Lipitor;liptonorm

Chemical Property of Calcium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate trihydrate

Chemical Property:

• PSA: 256.93000
• LogP: 9.91090
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Very slightly soluble in water, slightly soluble in ethanol (96 per cent), practically insoluble in methylene chloride.
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 616.2261559
• Heavy Atom Count: 43
• Complexity: 822

Purity/Quality:

98%,99%, ^*data from raw suppliers

Atorvastatin calcium salt trihydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 61-36
• Safety Statements: 53-26-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical 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.O.[Ca]
• Isomeric 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.O.[Ca]
• Recent EU Clinical Trials: Combined Suppression Of Cholesterol Bioavailability And Androgen Deprivation Therapy To Treat Castration Resistant Prostate Cancer
• Uses: HMG Co-A reductase inhibitor; lipid-regulating drug.