Atorvastatin-d5 tert-Butyl Ester

CAS: 134395-00-9

Ref. TR-A791742

Product Information

• Name: Atorvastatin-d5 tert-Butyl Ester
• Synonyms: (ßR,dR)-2-(4-Fluorophenyl)-ß,d-dihydroxy-5-(1-methylethyl)-3-phenyl-d5-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid 1,1-Dimethylethyl Ester, (3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid tert-butyl ester, (4R-cis)-1,1-dimethylethyl-6-[2-[2-(4-fluorophenyl)-5-(1-isopropyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dihydroxy-4-acetate, (R,dR)-2-(4-Fluorophenyl)-,d-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid 1,1-Dimethylethyl Ester, 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, 1,1-dimethylethyl ester, (βR,δR)-, 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, 1,1-dimethylethyl ester, [R-(R*,R*)]-, L-2, L2
• CAS: 134395-00-9

Description

Applications Atorvastatin-d5 tert-Butyl Ester is the labeled analogue of Atorvastatin tert-Butyl Ester (A791740), an impurity arising in the synthesis of Atorvastatin (A791750), a selective, competitive HMG-CoA reductase inhibitor. Atorvastatin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.
References Kearney, A.S., et al.: Pharm. Res., 10, 1461 (1993); Heinonen, T.M., et al.: Clin. Ther., 18, 853 (1996); Whitfield, L.R., et al.: Eur. J. Drug Metab. Pharmacokinet., 25, 97 (2000)

• Brand: TRC

Chemical properties

• Molecular weight: 619.78
• Formula: C₃₇H₃₈D₅FN₂O₅
• Color/Form: Off-White Solid
• InChI: InChI=1S/C37H43FN2O5/c1-24(2)34-33(36(44)39-28-14-10-7-11-15-28)32(25-12-8-6-9-13-25)35(26-16-18-27(38)19-17-26)40(34)21-20-29(41)22-30(42)23-31(43)45-37(3,4)5/h6-19,24,29-30,41-42H,20-23H2,1-5H3,(H,39,44)/i6D,8D,9D,12D,13D
• InChI key: InChIKey=GCPKKGVOCBYRML-KDAQSBQPSA-N
• SMILES: [2H]c1c([2H])c([2H])c(-c2c(C(=O)Nc3ccccc3)c(C(C)C)n(CCC(O)CC(O)CC(=O)OC(C)(C)C)c2-c2ccc(F)cc2)c([2H])c1[2H]