2-Methyl-2-Propanyl (6-{2-[2-(4-Fluorophenyl)-5-Isopropyl-3-Phenyl-4-(Phenylcarbamoyl)-1H-Pyrrol-1-Yl]Ethyl}-2,2-Dimethyl-1,3-Dioxan-4-Yl)Acetate
[CAS# 472967-95-6]

Identification

• Name: 2-Methyl-2-Propanyl (6-{2-[2-(4-Fluorophenyl)-5-Isopropyl-3-Phenyl-4-(Phenylcarbamoyl)-1H-Pyrrol-1-Yl]Ethyl}-2,2-Dimethyl-1,3-Dioxan-4-Yl)Acetate
• Synonyms: (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester; tert-Butyl (4R,6R)-2-[[[6-(2-4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate; tert-Butyl (4R,6R)-2-[6-[2-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
• Molecular Formula: C₄₀H₄₇FN₂O₅
• Molecular Weight: 654.81
• CAS Registry Number: 472967-95-6
• SMILES: Fc1ccc(cc1)c4c(c2ccccc2)c(C(=O)Nc3ccccc3)c(n4CCC5OC(OC(C5)CC(=O)OC(C)(C)C)(C)C)C(C)C
• 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)
• InChIKey: NPPZOMYSGNZDKY-UHFFFAOYSA-N

Properties

• Density: 1.15g/cm³ (Cal.)
• Boiling point: 678.035°C at 760 mmHg (Cal.)
• Flash point: 363.863°C (Cal.)
• Refractive index: 1.569 (Cal.)