3-O-Methylatorvastatin

Base Information

• Chemical Name: 3-O-Methylatorvastatin
• CAS No.: 887324-53-0
• Molecular Formula: C34H37FN2O5
• Molecular Weight: 572.7
• European Community (EC) Number: 823-245-2
• UNII: W4O2NOR8VV
• DSSTox Substance ID: DTXSID40237277
• Wikidata: Q27292291
• Mol file: 887324-53-0.mol

Synonyms:3-O-Methylatorvastatin;887324-53-0;UNII-W4O2NOR8VV;W4O2NOR8VV;Atorvastatin calcium trihydrate impurity G [EP];(3R,5R)-7-(2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxy-3-methoxyheptanoic acid;Atorvastatin Impurity G;(3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxy-3-methoxyheptanoic acid;1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-delta-hydroxy-beta-methoxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (betaR,deltaR)-;(3R,5R)-7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxy-3-methoxyheptanoicacid;Atorvastatin EP Impurity G;SCHEMBL12285672;DTXSID40237277;88719-29-4 (Salt);F19236;ATORVASTATIN CALCIUM IMPURITY G [EP IMPURITY];Q27292291;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-methoxyheptanoic acid;1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.DELTA.-HYDROXY-.BETA.-METHOXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-, (.BETA.R,.DELTA.R)-

Chemical Property of 3-O-Methylatorvastatin

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 572.26865045
• Heavy Atom Count: 42
• Complexity: 838

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)OC)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
• Isomeric SMILES: CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)OC)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4