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Nicotine-N-β-glucuronide-[d3]

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General Information
Catalog: BLP-012005
CAS: 329002-74-6
Molecular Formula: C16H19D3N2O6
Molecular Weight: 341.37

Chemical Structure

Description	Nicotine-N-β-glucuronide-[d3] is the labelled analogue of Nicotine-N-β-glucuronide, which is a metabolite of nicotine.
Synonyms	Nicotine-D3-β-D-Glucuronide
IUPAC Name	(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-pyridin-3-yl-1-(2,2,2-trideuterioethyl)pyrrolidin-1-ium-1-yl]oxyoxane-2-carboxylic acid
Canonical SMILES	CC[N+]1(CCCC1C2=CN=CC=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O
InChI	InChI=1S/C17H24N2O7/c1-2-19(8-4-6-11(19)10-5-3-7-18-9-10)26-17-14(22)12(20)13(21)15(25-17)16(23)24/h3,5,7,9,11-15,17,20-22H,2,4,6,8H2,1H3/p+1/t11?,12-,13-,14+,15-,17?,19?/m0/s1/i1D3
InChI Key	IHIQMTDHBBASOH-JOBFICAMSA-O
Melting Point	139-142°C
Purity	95% atom D
Appearance	Yellow Solid
Application	A nicotine metabolite.
Storage	Store at -20°C