Product Code

TRC-N535010

CAS Number

350508-25-7

Product Format

Neat

Molecular Formula

C15 H19 N3 O7 . H2 O

Molecular Weight

371.34

Product Categories

TRC, Nicotine and related compounds, Nitrosamine Research and Reference Materials

Product Type

Metabolite, Contaminant

Alternate CAS Number

864071-82-9; 350508-34-8

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

N'-Nitrosonornicotine N-beta-D-Glucuronide hydrate

CAS Number

350508-25-7

Molecular Formula

C15 H19 N3 O7 . H2 O

Molecular Weight

371.34

Accurate Mass

371.1329

SMILES

O.O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)[n+]2cccc(c2)[C@@H]3CCCN3N=O)C(=O)[O-]

InChI

InChI=1S/C15H19N3O7.H2O/c19-10-11(20)13(15(22)23)25-14(12(10)21)17-5-1-3-8(7-17)9-4-2-6-18(9)16-24;/h1,3,5,7,9-14,19-21H,2,4,6H2;1H2/t9-,10-,11-,12+,13-,14+;/m0./s1

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[(2S)-1-nitrosopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate;hydrate

Alternate CAS Number

864071-82-9; 350508-34-8

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

Product Description

A metabolite of N'-Nitrosonornicotine.

References: Caldwell, W.S., et al.: Chem. Res. Toxicol.., 5, 280 (1992), Chiu, S.H., et al.: Drug Metab. Dispos., 26, 838 (1998), Tukey, R., et al.: Annu. Rev. Pharmacol. Toxicol., 40, 581 (2000),

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N’-Nitrosonornicotine N-Beta-D-Glucuronide (Mixture Of Diastereomers) X Hydrate

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