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

CAS:
350508-25-7

Ref. TR-N535010

Nitrosamines

Product Information

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

Controlled Product

Synonyms:

Pyridinium
1-β-D-glucopyranuronosyl-3-(1-nitroso-2-pyrrolidinyl)-
inner salt
stereoisomer (9CI)
N'-Nitrosonornicotine N-β-D-Glucuronide

Brand:TRC

Description:

Applications 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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Chemical properties

Molecular weight:371.34

Formula:C₁₅H₁₉N₃O₇·H₂O

Color/Form:Neat

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

SMILES:O=NN1CCCC1c1ccc[n+]([C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c1

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