Cotinine-glucuronide

Base Information

• Chemical Name: Cotinine-glucuronide
• CAS No.: 139427-57-9
• Molecular Formula: C16H20 N2 O7
• Molecular Weight: 355.36
• Mol file: 139427-57-9.mol

Synonyms:cotinine-glucuronide;Cotinine-N-glucuronide;Cotinine N-glucuronide;Cotinine N-|A-D-Glucuronide;Cotinine glucuronide;Cotinine N- beta -D-Glucuronide;CHEBI:145221;AKOS025394356;3,4,5-trihydroxy-6-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylate;FT-0665191;1-b-D-glucopyranuronosyl-3-(1-methyl-5-oxo-2-pyrrolidinyl)- Pyridinium;1-beta-delta-glucopyranuronosyl-3-(1-methyl-5-oxo-2-pyrrolidinyl)- Pyridinium

Chemical Property of Cotinine-glucuronide

Chemical Property:

• Melting Point: 158℃(dec)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 134.24000
• Density: g/cm³
• LogP: -3.06470
• Storage Temp.: Hygroscopic, -20?C Freezer, Under Inert Atmosphere
• Solubility.: Methanol (Slightly, Sonicated), Water (Slightly)
• XLogP3: -1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 352.12705098
• Heavy Atom Count: 25
• Complexity: 525

Purity/Quality:

98%Min ^*data from raw suppliers

Cotinine b-D-glucuronide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(CCC1=O)C2=C[N+](=CC=C2)C3C(C(C(C(O3)C(=O)[O-])O)O)O