Simvastatin-d₆
[CAS# 1002347-71-8]

Identification

• Classification: API >> Circulatory system medication
• Name: Simvastatin-d₆
• Synonyms: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate
• Molecular Formula: C₂₅H₃₂D₆O₅
• Molecular Weight: 424.60
• CAS Registry Number: 1002347-71-8
• SMILES: [2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C)C([2H])([2H])[2H]

Properties

• Solubility: 75 mM (ethanol)
• Density: 1.1±0.0 g/cm³, Calc.^*
• Index of Refraction: 1.530, Calc.^*
• Boiling Point: 564.9±0.0 ºC (760 mmHg), Calc.^*
• Flash Point: 184.8±0.0 ºC, Calc.^*

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