Product Code

TRC-N524752

CAS Number

1020719-69-0

Product Format

Neat

Molecular Formula

C10 2H4 H7 N3 O

Molecular Weight

193.24

API Family

Anatabine

Product Categories

Pharmaceutical Reference Standards, TRC, Nicotine and related compounds, Reference Materials for Smoking-Related Substances , Impurity Reference Materials , Carcinogens, Additional Cancer Bioactive Molecules, Stable isotopes, Nitrosamine Reference Materials, Stable isotopes, Stable Isotope Labelled Analytical Standards, Cancer Research Chemicals and Analytical Standards

Product Type

Stable Isotope Labelled, Impurity, Metabolite

Alternate CAS Number

37620-20-5

Unlabelled CAS Number

887407-16-1

Purity

>95% (HPLC)

Analytical Method

NMR, HPLC, MS

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

(R,S)-N-Nitroso Anatabine-2,4,5,6-d4

CAS Number

1020719-69-0

Molecular Formula

C10 2H4 H7 N3 O

Molecular Weight

193.24

Accurate Mass

193.1153

SMILES

[2H]c1nc([2H])c(C2CC=CCN2N=O)c([2H])c1[2H]

InChI

InChI=1S/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2/i3D,4D,6D,8D

IUPAC

2,3,4,6-tetradeuterio-5-(1-nitroso-3,6-dihydro-2H-pyridin-2-yl)pyridine

Alternate CAS Number

37620-20-5

Unlabelled CAS Number

887407-16-1

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

Anatabine

Purity

>95% (HPLC)

Analytical Method

NMR, HPLC, MS

Product Description

Labelled (R,S)-N-Nitroso Anatabine (N524750). (R,S)-N-Nitroso Anatabin is a metabolite of tobacco, a specific N-nitrosamines. (R,S)-N-Nitroso Anatabine shows mutagenic effects.

References: Hoffmann, D., et al.: Cancer Res., 39, 2505 (1979),

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