Product Code

TRC-N427500

CAS Number

51095-86-4

Product Format

Neat

Molecular Formula

C10 H14 N2 O

Molecular Weight

178.23

API Family

Nicotine

Product Categories

TRC, Chiral Molecules , Nicotine and related compounds, Piperidines, Additional Cancer Bioactive Molecules, Neurology Research Chemicals and Analytical Standards, Cancer Research Chemicals and Analytical Standards, Impurity Reference Materials

Product Type

Impurity, Metabolite

Alternate CAS Number

(R,S)-isomer: 51020-67-8

Purity

>95% (HPLC)

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

3-[(1S,2S)-1-Methyl-1-oxidopyrrolidin-2-yl]pyridine

CAS Number

51095-86-4

Molecular Formula

C10 H14 N2 O

Molecular Weight

178.23

Accurate Mass

178.1106

Flash Point

-20

SMILES

C[N@+]1([O-])CCC[C@H]1c2cccnc2

InChI

InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-,12-/m0/s1

IUPAC

3-[(1S,2S)-1-methyl-1-oxidopyrrolidin-1-ium-2-yl]pyridine

Alternate CAS Number

(R,S)-isomer: 51020-67-8

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Tariff Code

29398000

Product Type

Metabolite

Product Format

Neat

API Family

Nicotine

Purity

>95% (HPLC)

Product Description

Nicotine-1???-N-oxide is a derivative of Nicotine (N412420) found in the leaves, stems, and roots of N. tabacum, N. affinis and N. sylvestris. Nicotine-1???-N-oxide has also been identified as a metabolite of nicotine in animals and in man. The metabolism of nicotine in man proceeds by alternative routes of oxidation of nitrogen to form nicotine-1???-N-oxide (both diastereomers) or cotinine. The ratio of these two products has been suggested as an indicator of bladder cancer in humans.

References: Phillipson, J.D., et al.: Phytochemistry, 14, 2683 (1975); Sindelar, R.D., et al.: Appl. Environ. Microbiol., 38, 836 (1979),

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(1’S,2’S)-Nicotine 1’-Oxide

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