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(3S,5S)-Dihydroxy Simvastatin-[d3]

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General Information
Catalog: BLP-002650
Molecular Formula: C25H37D3O7
Molecular Weight: 455.60

Chemical Structure

Description	(3S,5S)-Dihydroxy Simvastatin-[d3] is the labelled analogue of (3S,5S)-Dihydroxy Simvastatin, which is an impurity of 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	3(s), 5(s)-Dihydroxy Simvastatin D3; 3S,5S-Dihydroxy Simvastatin-d3
IUPAC Name	[(1S,3R,4S,6S,7R,8S,8aR)-4,6-dihydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate
Related CAS	159143-77-8 (unlabelled)
Canonical SMILES	CCC(C)(C)C(=O)OC1CC(C(C2=CC(C(C(C12)CCC3CC(CC(=O)O3)O)C)O)O)C
InChI	InChI=1S/C25H40O7/c1-6-25(4,5)24(30)32-20-9-13(2)23(29)18-12-19(27)14(3)17(22(18)20)8-7-16-10-15(26)11-21(28)31-16/h12-17,19-20,22-23,26-27,29H,6-11H2,1-5H3/t13-,14-,15-,16-,17+,19-,20+,22-,23+/m1/s1/i4D3/t13-,14-,15-,16-,17+,19-,20+,22-,23+,25?
InChI Key	MRCKOKWQDZYFLT-RWYAJWGZSA-N