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Product Overview

Product Code

TRC-C725203

CAS Number

1215561-37-7

Product Format

Neat

Molecular Formula

C10 2H3 H9 N2 O2

Molecular Weight

195.23

API Family

Nicotine

Product Categories

TRC, Nicotine and related compounds, Reference Materials for Smoking-Related Substances , Carcinogens, Stable isotopes, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, Impurity, Metabolite, API

Unlabelled CAS Number

227623-88-3

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

(R,S)-Cotinine N-Oxide-methyl-d3

CAS Number

1215561-37-7

Molecular Formula

C10 2H3 H9 N2 O2

Molecular Weight

195.23

Accurate Mass

195.1087

SMILES

[2H]C([2H])([2H])N1C(CCC1=O)c2ccc[n+]([O-])c2

InChI

InChI=1S/C10H12N2O2/c1-11-9(4-5-10(11)13)8-3-2-6-12(14)7-8/h2-3,6-7,9H,4-5H2,1H3/i1D3

IUPAC

5-(1-oxidopyridin-1-ium-3-yl)-1-(trideuteriomethyl)pyrrolidin-2-one

Unlabelled CAS Number

227623-88-3

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Nicotine

Purity

>95% (HPLC)

Product Description

A major labelled metabolite of Nicotine in humans. Carcinogen.

References: Oscarson, M., et al.: Drug Metab. Dispos., 29, 91 (2001),

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(R,S)-Cotinine-d3 N-Oxide

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