265989-41-1

Basic information

• Product Name: (6-{2-[3-(2-Benzyloxy-phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-d5-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester
• Synonyms: (6-{2-[3-(2-Benzyloxy-phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-d5-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester;(4R,6R)-6-[2-[2-(4-Fluorophenyl)-5-(1-Methylethyl)-3-phenyl-4-[[[2-(phenylMethoxy)phenyl-;2-Benzyloxy Atorvastatin-d5 Acetonide tert-Butyl Ester
• CAS NO: 265989-41-1
• Molecular Formula: C₄₇H₅₃FN₂O₆
• Molecular Weight: 765.96273209
• Product Categories: Intermediates;Isotope Labeled Compounds;Intermediates & Fine Chemicals;Isotope Labelled Compounds;Pharmaceuticals
• Mol File: 265989-41-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 765.925°C at 760 mmHg
• Flash Point: 417.017°C
• Appearance: /
• Density: 1.161g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.574
• Solubility: Acetone, Chloroform, Dichloromethane, Ethyl Acetate
• CAS DataBase Reference: (6-{2-[3-(2-Benzyloxy-phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-d5-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester(CAS DataBase Reference)
• NIST Chemistry Reference: (6-{2-[3-(2-Benzyloxy-phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-d5-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester(265989-41-1)
• EPA Substance Registry System: (6-{2-[3-(2-Benzyloxy-phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-d5-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester(265989-41-1)

Safety Data

• Hazardous Substances Data: 265989-41-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C47H53FN2O6/c1-31(2)43-42(45(52)49-38-20-14-15-21-39(38)53-30-32-16-10-8-11-17-32)41(33-18-12-9-13-19-33)44(34-22-24-35(48)25-23-34)50(43)27-26-36-28-37(55-47(6,7)54-36)29-40(51)56-46(3,4)5/h8-25,31,36-37H,26-30H2,1-7H3,(H,49,52)/t36-,37-/m1/s1/i9D,12D,13D,18D,19D

Upstream product

• 1020719-18-9 C₂₆H₂₀⁽²⁾H₅NO₃ 
• 265989-31-9 N-(2-(benzyloxy)phenyl)-4-methyl-3-oxopentanamide 
• 4560-41-2 2-benzyloxynitrobenzene 
• 20012-63-9 o-(benzyloxy)aniline 
• 125971-86-0 tert-butyl [(4R,6R)-6-aminoethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate 
• 1020719-43-0 C₃₃H₂₅⁽²⁾H₅FNO₄ 

Downstream Products

• 265989-42-2 C₄₀H₄₂⁽²⁾H₅FN₂O₆ 
• 777841-55-1 C₃₃H₃₀⁽²⁾H₅FN₂O₆ 
• 265989-50-2 C₃₃H₂₈⁽²⁾H₅FN₂O₅ 

Relevant articles and documents

Synthesis of deuterium-labeled atorvastatin and its metabolites for use as internal standards in a LC/MS/MS method developed for quantitation of the drug and its metabolites in human serum

D5-labeled isotopomers of atorvastatin, atorvastatin lactone and its hydroxy metabolites were synthesized as internal standards for use in a LC/MS/MS method developed for the simultaneous quantitative determination of atorvastatin and its hydroxy metabolites in human serum. d5-Atorvastatin and d5-atorvastatin lactone were prepared from d5-aniline whereas their corresponding hydroxy metabolites were synthesized using d5-benzaldehyde.