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Simvastatin sodium salt-[d6]

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General Information
Catalog: BLP-004240
Molecular Formula: C25H31D6NaO5
Molecular Weight: 446.59

Chemical Structure

Description	Simvastatin sodium salt-[d6] is a labelled carboxylate form of Simvastatin.
Synonyms	sodium (2R,4R)-2-{2-[(1S,2S,6R,8S,8aR)-8-{[2,2-bis(D3)methylbutanoyl]oxy}-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}-6-oxooxan-4-olate
IUPAC Name	sodium;(2R,4R)-2-[2-[(1S,2S,6R,8S,8aR)-8-[2,2-bis(trideuteriomethyl)butanoyloxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-oxooxan-4-olate
Related CAS	1002347-71-8 (free base)
Canonical SMILES	CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)[O-])C.[Na+]
InChI	InChI=1S/C25H37O5.Na/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;/h7-8,11,15-16,18-21,23H,6,9-10,12-14H2,1-5H3;/q-1;+1/t15-,16-,18+,19+,20-,21-,23-;/m0./s1/i4D3,5D3;
InChI Key	TXUOBMMXDZEUAP-UUPPRYLMSA-N