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Gemfibrozil-β-O-β-D-Glucuronide-[d6]

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General Information
Catalog: BLP-006927
Molecular Formula: C21H24D6O9
Molecular Weight: 432.49

Chemical Structure

Description	Gemfibrozil-β-O-β-D-Glucuronide-[d6] is the isotope labelled analog of Gemfibrozil-β-O-β-D-Glucuronide. Gemfibrozil 1-O-β-glucuronide is a major metabolite of gemfibrozil.
Synonyms	1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate]-d6; β-D-glucopyranuronic acid-d6
IUPAC Name	(2S,3S,4S,5R,6S)-6-[5-(2,5-dimethylphenoxy)-2,2-bis(trideuteriomethyl)pentanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CAS	91683-38-4 (unlabelled)
Canonical SMILES	CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O
InChI	InChI=1S/C21H30O9/c1-11-6-7-12(2)13(10-11)28-9-5-8-21(3,4)20(27)30-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-7,10,14-17,19,22-24H,5,8-9H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,19-/m0/s1/i3D3,4D3
InChI Key	CJMNXSKEVNPQOK-JAJJZQMZSA-N