Simvastatin-d6 Hydroxy Acid Sodium Salt

CAS: 101314-97-0

Ref. TR-S484992

Product Information

• Name: Simvastatin-d6 Hydroxy Acid Sodium Salt
• Synonyms: [1S-[1α(βS*,δS*),2α,6α,8β,8aα]]-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic Acid Monosodium Salt
• Brand: TRC

Description

Applications Simvastatin-d6 Hydroxy Acid Sodium Salt is a labeled metabolite of Simvastin (S485000). A competitive inhibitor of HMG-CoA reductase.
References Hoffman, W.F., et al.: J. Med. Chem., 29, 849 (1986); Mol, M.J., et al.: Lancet, 2, 936 (1986)

Chemical properties

• Molecular weight: 464.6
• Formula: C₂₅H₃₃D₆NaO₆
• Color/Form: Neat
• InChI: InChI=1S/C25H40O6.Na/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);/q;+1/p-1/t15-,16-,18-,19-,20-,21-,23-;/m0./s1/i4D3,5D3
• InChI key: InChIKey=RLWRROYWKHUVKF-VYFPQAIGSA-M
• SMILES: [2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC(=O)O[Na])[C@H]21)C([2H])([2H])[2H]