Simvastatin-d11 (2,2-dimethylbutyrate-d11)

CAS: 1002347-74-1

Ref. TR-S485001

Product Information

• Name: Simvastatin-d11 (2,2-dimethylbutyrate-d11)
• Synonyms: Butanoic-3,3,4,4,4-d5 acid, 2,2-di(methyl-d3)-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester (ACI), (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl 2,2-di(methyl-d3)butanoate-3,3,4,4,4-d5 (ACI), Simvastatin-d11, Simvastatin-D11 (2,2-dimethylbutanoate-D11)
• Brand: TRC

Description

Applications Simvastatin-d11 (2,2-dimethylbutyrate-d11) (CAS# 1002347-74-1) can be used to treat hypercholesterolemia and heart disease. This compound can also be used to treat various diseases by preparing it as HMG-CoA reductase inhibitor.
References Czarnik, A., U.S Pat.Appl.Publ., 8,(2008); Gant, T., et.al., PCT Int.Appl.,88,(2008);

Chemical properties

• Molecular weight: 429.64
• Formula: C₂₅D₁₁H₂₇O₅
• Color/Form: Neat
• InChI: InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1/i1D3,4D3,5D3,6D2
• InChI key: InChIKey=RYMZZMVNJRMUDD-RCNCAAKXSA-N
• SMILES: [2H]C([2H])([2H])C([2H])([2H])C(C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@H]3C[C@H](O)CC(=O)O3)C21)(C([2H])([2H])[2H])C([2H])([2H])[2H]