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Simvastatin Acid-[d6]

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General Information
Catalog: BLP-004238
Molecular Formula: C25H34D6O6
Molecular Weight: 442.62

Chemical Structure

Description	Simvastatin acid-[d6] is a labelled impurity of Simvastatin. Simvastatin is a competitive inhibitor of HMG-CoA reductase with Ki of 0.1-0.2 nM.
Synonyms	(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid-D6
IUPAC Name	(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[2,2-bis(trideuteriomethyl)butanoyloxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Related CAS	121009-77-6 (unlabelled)
Canonical SMILES	CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)C
InChI	InChI=1S/C25H40O6/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)/t15-,16-,18+,19+,20-,21-,23-/m0/s1/i4D3,5D3
InChI Key	XWLXKKNPFMNSFA-QDGXURMLSA-N