Simvastatin-d6 Hydroxy Acid Ammonium Salt

CAS: 139893-43-9

Ref. TR-S485022

Product Information

• Name: Simvastatin-d6 Hydroxy Acid Ammonium Salt
• Synonyms: (βR,δR,1S,2S,6R,8S,8aR)-8-[2,2-(Dimethyl-d6)-1-oxobutoxy]-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic Acid Ammonium Salt, Simvastatin-d6 Acid Ammonium Salt, Simvastatin-d6 Ammonium Salt, Simvastatin-d6 Carboxylic Acid Ammonium Salt
• Brand: TRC

Description

Applications A deuterated 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: 459.65
• Formula: C₂₅H₃₇D₆NO₆
• Color/Form: Neat
• InChI: InChI=1S/C25H40O6.H3N/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);1H3/t15-,16-,18-,19-,20-,21-,23-;/m0./s1/i4D3,5D3
• 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-])[C@H]21)C([2H])([2H])[2H].[NH4+]