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Product Overview

Product Code

TRC-M325650

CAS Number

64091-90-3

Product Format

Neat

Molecular Formula

C10 H13 N3 O2

Molecular Weight

207.23

Product Categories

TRC, Nicotine and related compounds, Stimulants, Reference Materials for Smoking-Related Substances , Stimulants

Drug Type

Stimulants (non-Amphetamine)

Documentation

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Product Information

Chemical Data

Analyte Name

4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butanal

CAS Number

64091-90-3

Molecular Formula

C10 H13 N3 O2

Molecular Weight

207.23

Accurate Mass

207.1008

SMILES

CN(N=O)C(CCC=O)c1cccnc1

InChI

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

IUPAC

N-methyl-N-(4-oxo-1-pyridin-3-ylbutyl)nitrous amide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

A tobacco smoke-derived nitrosamine which is activated by multiple human cytochrome P 450s including the polymorphic human cytochrome P 4502D6.

References: Castonguay, A., et al.:

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4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butanal

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