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Simvastatin-[d6]

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General Information
Catalog: BLP-013129
CAS: 1002347-71-8
Molecular Formula: C25H32D6O5
Molecular Weight: 424.61

Chemical Structure

Description	An isotope labelled Simvastatin. Simvastatin is a lipid-lowering drug that inhibits HMG-CoA reductase. It is in the statin class of medications and works by decreasing the manufacture of cholesterol by the liver.
Synonyms	2,2-(Dimethyl-d6)butanoic Acid(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; (+)-Simvastatin-d6; Cholestat-d6; Lipex-d6; Novo-Simvastatin-d6; Simvotin-d6; Sinvacor-d6; Statin-d6; Zocor-d6; Zorced-d6
IUPAC Name	[(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
Related CAS	79902-63-9 (unlabelled)
Canonical SMILES	CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
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/i4D3,5D3
InChI Key	RYMZZMVNJRMUDD-QDGXURMLSA-N
Melting Point	117-120˚C
Purity	>95%
Appearance	White Solid