(3R,5S)-Atorvastatin Acetonide tert-Butyl Ester
[CAS# 947249-30-1]

Identification

• Name: (3R,5S)-Atorvastatin Acetonide tert-Butyl Ester
• Molecular Formula: C₄₀H₄₇FN₂O₅
• Molecular Weight: 654.81
• CAS Registry Number: 947249-30-1
• SMILES: CC(C)C1=C(C(=C(N1CC[C@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Properties

• Density: 1.1±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.569, Calc.^*
• Boiling Point: 723.5±70.0 °C (760 mmHg), Calc.^*
• Flash Point: 391.3±35.7 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.