Atorvastatin Acetonide tert-Butyl Ester

CAS: 125971-95-1

Ref. TR-A791745

Product Information

• Name: Atorvastatin Acetonide tert-Butyl Ester
• Synonyms: 1,1-Dimethylethyl (4R-cis)-6-[2-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1-H-pyrrol-1-yl]ethyl]-2,2-di-methyl-1,3-dioxane-4-acetate
• Brand: TRC

Description

Impurity Atorvastatin EP Impurity I
Applications Atorvastatin Acetonide tert-Butyl Ester (Atorvastatin EP Impurity I) is an Atorvastatin intermediate.
References Winters, R., et al.: J. Med. Chem., 36, 1735 (1993), Bowers, et al.: J. Org. Chem., 63, 4570 (1998), Hagmann, W., et al.: Bioorg. Med. Lett., 10(17), 1975 (2000),

Chemical properties

• Molecular weight: 654.81
• Formula: C₄₀H₄₇FN₂O₅
• Color/Form: Neat
• InChI: InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m1/s1
• InChI key: InChIKey=NPPZOMYSGNZDKY-ROJLCIKYSA-N
• SMILES: CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1