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Simvastatin hydroxyl acid-[d6] Sodium salt

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General Information
Catalog: BLP-006005
Molecular Formula: C25H33D6NaO6
Molecular Weight: 464.61

Chemical Structure

Description	One of the isotope labelled impurities of Simvastatin, which is an inhibitor of HMG-CoA reductase.
Synonyms	[1S-[1α(βS,δS),2α,6α,8β,8aα]]-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic Acid Monosodium Salt
IUPAC Name	sodium;(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-dihydroxyheptanoate
Related CAS	101314-97-0 (unlabelled)
Canonical SMILES	CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)[O-])O)O)C.[Na+]
InChI	InChI=1S/C25H40O6.Na/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);/q;+1/p-1/t15-,16-,18+,19+,20-,21-,23-;/m0./s1/i4D3,5D3;
InChI Key	RLWRROYWKHUVKF-UUPPRYLMSA-M
Melting Point	116-118°C
Purity	>98%
Solubility	Soluble in Chloroform (Slightly), Water (Slightly)
Appearance	White to Off-white Solid
Storage	Hygroscopic, Store at-20°C Freezer, Under inert atmosphere