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4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone N-beta-D-Glucuronide
[CAS# 350508-26-8]

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Identification
Name 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone N-beta-D-Glucuronide
Synonyms 1-B-D-Glucopyranuronosyl-3-[4-(Methylnitrosoamino)-1-Oxobutyl]-Pyridinium; 1--D-Glucopyranuronosyl-3-[4-(Methylnitrosoamino)-1-Oxobutyl]-Pyridinium; 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone N-B-D-Glucuronide
Molecular Structure CAS#: 350508-26-8, 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone N-beta-D-Glucuronide
Molecular Formula C16H21N3O8
Molecular Weight 383.35
CAS Registry Number 350508-26-8
SMILES O=NN(CCCC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](C(=O)[O-])[C@H]([C@@H]([C@H]1O)O)O)C
InChI 1S/C16H21N3O8/c1-18(17-26)6-3-5-10(20)9-4-2-7-19(8-9)15-13(23)11(21)12(22)14(27-15)16(24)25/h2,4,7-8,11-15,21-23H,3,5-6H2,1H3/t11-,12-,13+,14-,15+/m0/s1
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