4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone N-b-D-glucuronide

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Catalog Number

ACM350508268

Product Name

Structure

CAS

350508-26-8

Category

Heterocyclic Organic Compound

Synonyms

NNK-N-β-D-Glucuronide; 1-β-D-Glucopyranuronosyl-3-[4-(methylnitrosoamino)-
1-oxobutyl]pyridinium;

IUPAC Name

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[4-[methyl(nitroso)amino]butanoyl]pyridin-1-ium-1-yl]oxane-2-carboxylate

Molecular Weight

383.35

Molecular Formula

C₁₆H₂₁N₃O₈

Canonical SMILES

CN(CCCC(=O)C1=C[N+](=CC=C1)C2C(C(C(C(O2)C(=O)[O-])O)O)O)N=O

InChI Key

OCZWZVHMLRFHQX-SBJFKYEJSA-N

Melting Point

118-124ºC

Appearance

Pink Solid

Exact Mass

383.13300

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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