Product Code

TRC-M325752

CAS Number

86270-92-0

Product Format

Neat

Molecular Formula

C10 2H3 H10 N3 O2

Molecular Weight

210.25

Product Categories

TRC, Nicotine and related compounds, Nitrosamine Research and Reference Materials, Reference Materials for Smoking-Related Substances , Carcinogens, Stable isotopes, Nitrosamine Reference Materials , Stable isotopes, Stable Isotope Labelled Analytical Standards, Impurity Reference Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

64091-91-4

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone

CAS Number

86270-92-0

Molecular Formula

C10 2H3 H10 N3 O2

Molecular Weight

210.25

Accurate Mass

210.1196

SMILES

[2H]C([2H])([2H])N(CCCC(=O)c1cccnc1)N=O

InChI

InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3/i1D3

IUPAC

N-(4-oxo-4-pyridin-3-ylbutyl)-N-(trideuteriomethyl)nitrous amide

Unlabelled CAS Number

64091-91-4

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Product Description

Labelled NNK (M325750). This compound was present in the highest concentrations in smokeless tobacco out of the nitrosamines identified. It is likely to be important in the etiology of cancers of the lung, oral cavity, and pancreas in people who use tabacco products. Readily produces cancer in rats and hamsters. Carcinogen.

References: Koenigs, L., et al.: Drug Metab. Dispos., 25, 1407 (1997), Gu, J., et al.: Toxicol. Appl. Pharmacol., 165, 158 (2000), Jalas, J., et al.: Chem. Res. Toxicol., 18, 95 (2005), Zhu, L., et al.: Drug Metab. Dispos., 34, 1672(2006),

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4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone

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