CAS
350497-94-8 Purity
96%
350497-94-8 Purity
96%
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4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone N-b-D-glucuronide
CAS
350508-26-8
Catalog Number
ACM350508268
Category
Other Products
Molecular Weight
383.35
Molecular Formula
C16H21N3O8
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Specification
Synonyms
NNK-N-β-D-Glucuronide; 1-β-D-Glucopyranuronosyl-3-[4-(methylnitrosoamino)-
1-oxobutyl]pyridinium;
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
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
10
H-Bond Donor
3
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