para-Hydroxy Atorvastatin CalciuM Salt

Base Information

• Chemical Name: para-Hydroxy Atorvastatin CalciuM Salt
• CAS No.: 265989-44-4
• Molecular Formula: C33H34CaFN2O6+
• Molecular Weight: 1189.3564064
• European Community (EC) Number: 820-178-0
• Mol file: 265989-44-4.mol

Synonyms:para-Hydroxy Atorvastatin CalciuM Salt;265989-44-4;Calcium;(3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate;1263176-34-6;4-Hydroxy atorvastatin hemicalcium salt;4-Hydroxy Atorvastatin Calcium Salt;PD131663;J-014048;Calcium rel-(3R,5R)-7-(2-(4-fluorophenyl)-4-((4-hydroxyphenyl)carbamoyl)-5-isopropyl-3-phenyl-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

Chemical Property of para-Hydroxy Atorvastatin CalciuM Salt

Chemical Property:

• PSA: 134.85000
• LogP: 6.53040
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 22
• Exact Mass: 1186.4427708
• Heavy Atom Count: 85
• Complexity: 848

Purity/Quality:

99%+, ^*data from raw suppliers

p-Hydroxyatorvastatincalciumsalt 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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=C(C=C4)O.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=C(C=C4)O.[Ca+2]
• 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=C(C=C4)O.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=C(C=C4)O.[Ca+2]