Cotinine N-(4-Deoxy-4,5-didehydro)-beta-D-glucuronide
[CAS# 146275-15-2]

Identification

• Name: Cotinine N-(4-Deoxy-4,5-didehydro)-beta-D-glucuronide
• Synonyms: COTININE N-(4-DEOXY-4,5-DIDEHYDRO)-Î’-D-GLUCURONIDE
• Molecular Formula: C₁₆H₁₈N₂O₆
• Molecular Weight: 334.32
• CAS Registry Number: 146275-15-2
• SMILES: O=C3N(C)C(c1c[n+](ccc1)C2O\C(=C/C(O)C2O)C([O-])=O)CC3
• InChI: 1S/C16H18N2O6/c1-17-10(4-5-13(17)20)9-3-2-6-18(8-9)15-14(21)11(19)7-12(24-15)16(22)23/h2-3,6-8,10-11,14-15,19,21H,4-5H2,1H3
• InChIKey: DXCAURCQPPWRAO-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)