Benzidine N-Glucuronide
[CAS# 85559-86-0]

Identification

• Name: Benzidine N-Glucuronide
• Synonyms: (2S,3S,4S,5R,6R)-6-[[4-(4-Aminophenyl)Phenyl]Amino]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[[4-(4-Aminophenyl)Phenyl]Amino]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-6-[[4-(4-Aminophenyl)Phenyl]Amino]-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₈H₂₀N₂O₆
• Molecular Weight: 360.37
• CAS Registry Number: 85559-86-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)NC3=CC=C(C2=CC=C(N)C=C2)C=C3
• InChI: 1S/C18H20N2O6/c19-11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-17-15(23)13(21)14(22)16(26-17)18(24)25/h1-8,13-17,20-23H,19H2,(H,24,25)/t13-,14-,15+,16-,17+/m0/s1
• InChIKey: DWBONMREIKATNQ-ZOFXXKQRSA-N

Properties

• Density: 1.545g/cm³ (Cal.)
• Boiling point: 690.67°C at 760 mmHg (Cal.)
• Flash point: 371.504°C (Cal.)