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Product Overview

Product Code

TRC-M287003

CAS Number

764661-23-6

Product Format

Neat

Molecular Formula

C10 2H4 H10 N2 O . 2 Cl H

Molecular Weight

255.18

API Family

Nicotine

Product Categories

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

Product Type

Stable Isotope Labelled, Impurity, Metabolite, API

Unlabelled CAS Number

66093-90-1

Documentation

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Product Information

Chemical Data

Analyte Name

4-(Methylamino)-1-(3-pyridyl-d4)-1-butanone Dihydrochloride

CAS Number

764661-23-6

Molecular Formula

C10 2H4 H10 N2 O . 2 Cl H

Molecular Weight

255.18

Accurate Mass

254.0891

SMILES

Cl.Cl.[2H]c1nc([2H])c(C(=O)CCCNC)c([2H])c1[2H]

InChI

InChI=1S/C10H14N2O.2ClH/c1-11-6-3-5-10(13)9-4-2-7-12-8-9;;/h2,4,7-8,11H,3,5-6H2,1H3;2*1H/i2D,4D,7D,8D;;

IUPAC

4-(methylamino)-1-(2,4,5,6-tetradeuteriopyridin-3-yl)butan-1-one;dihydrochloride

Unlabelled CAS Number

66093-90-1

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Metabolite; API

Product Format

Neat

API Family

Nicotine

Product Description

An amino ketone metabolite of nicotine, and precursor to NNK.

References: Peterson, L., et al.: J. Med. Chem., 31, 637 (1988), Messina, E., et al.: J. Pharmacol. Exp. Ther. 282, 16081(997).

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