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Nicotine-N-β-glucuronide-[Methyl-d3]

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General Information
Catalog: BLP-011489
Molecular Formula: C16H19D3N2O6
Molecular Weight: 341.37

Chemical Structure

Description	A nicotine metabolite.
Synonyms	Nicotine-N-β-glucuronide, Methyl-d3
IUPAC Name	(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[1-(trideuteriomethyl)pyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate
Related CAS	153536-53-9 (unlabelled)
Canonical SMILES	CN1CCCC1C2=C[N+](=CC=C2)C3C(C(C(C(O3)C(=O)[O-])O)O)O
InChI	InChI=1S/C16H22N2O6/c1-17-6-3-5-10(17)9-4-2-7-18(8-9)15-13(21)11(19)12(20)14(24-15)16(22)23/h2,4,7-8,10-15,19-21H,3,5-6H2,1H3/t10?,11-,12-,13+,14-,15+/m0/s1/i1D3
InChI Key	SAWAIULJDYFLPD-XMVZGRAESA-N
Melting Point	139-142°C
Storage	Store at -20°C