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Simvastatin-[d3]

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General Information
Catalog: BLP-013128
CAS: 1002347-61-6
Molecular Formula: C25H35D3O5
Molecular Weight: 421.58

Chemical Structure

Ordering Information

Catalog Number	Size	Price	Stock	Quantity
BLP-013128	50 mg	$5998	In stock

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Description	An isotope labelled of Simvastin. Simvastatin is a lipid-lowering medication and the primary uses of simvastatin are to treat dyslipidemia.
Synonyms	Simvastatin D3 lactone
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-methyl-2-(trideuteriomethyl)butanoate
Related CAS	79902-63-9 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(C)(CC)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
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/t15-,16-,18+,19+,20-,21-,23-,25?
InChI Key	RYMZZMVNJRMUDD-LONBHWHVSA-N
Purity	95% by HPLC; 98% atom D