4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol-N-beta-D-Glucuronide
[CAS# 350508-29-1]

Identification

• Name: 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol-N-beta-D-Glucuronide
• Synonyms: 1--D-Glucopyranuronosyl-3-[(1S)-1-Hydroxy-4-(Methylnitrosoamino)Butyl]Pyridinium Inner Salt; 1-Β-D-Glucopyranuronosyl-3-[1-Hydroxy-4-(Methylnitrosoamino)Butyl]Pyridinium Inner Salt; 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol-N--D-Glucuronide
• Molecular Formula: C₁₆H₂₃N₃O₈
• Molecular Weight: 385.37
• CAS Registry Number: 350508-29-1
• SMILES: O=NN(CCCC(c1cccnc1)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C
• InChI: 1S/C16H23N3O8/c1-19(18-25)7-3-5-10(9-4-2-6-17-8-9)26-16-13(22)11(20)12(21)14(27-16)15(23)24/h2,4,6,8,10-14,16,20-22H,3,5,7H2,1H3,(H,23,24)/t10?,11-,12-,13+,14-,16+/m0/s1