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Product Overview

Product Code

TRC-N424575

CAS Number

153536-53-9

Product Format

Neat

Molecular Formula

C16 H22 N2 O6

Molecular Weight

338.36

API Family

Nicotine

Product Categories

TRC, Additional endogenous metabolites, Neurology Research Chemicals and Analytical Standards, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Impurity, Metabolite, API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Nicotine-N-beta-glucuronide

CAS Number

153536-53-9

Molecular Formula

C16 H22 N2 O6

Molecular Weight

338.36

Accurate Mass

338.1478

SMILES

CN1CCC[C@H]1c2ccc[n+](c2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=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

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Nicotine

Purity

>95% (HPLC)

Product Description

Nicotine N-b-D-Glucuronide is a Nicotine (N412420) metabolite in rat brain. Nicotine N-b-D-Glucuronide is used as a Nicotine biomarker in rat brain.

References: Alexandrov, K., et al.: Toxicol. Lett., 198, 63 (2010), Huang, L., et al.: J. Neurochem., 109, 826 (2009), Quik, M., et al.: Biochem. Pharmacol., 78, 677 (2009), Weems, J., et al.: Chem. Res. Toxicol., 23, 696 (2010),

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Nicotine N-Beta-D-Glucuronide

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