Harmol Glucuronide
[CAS# 24757-60-6]

Identification

• Name: Harmol Glucuronide
• Synonyms: (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[(1-Methyl-9H-Pyrido[3,4-B]Indol-7-Yl)Oxy]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[(1-Methyl-9H-Pyrido[3,4-B]Indol-7-Yl)Oxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[(1-Methyl-9H-$B-Carbolin-7-Yl)Oxy]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₈H₁₈N₂O₇
• Molecular Weight: 374.35
• CAS Registry Number: 24757-60-6
• SMILES: [C@H]1(O)C(O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O)OC4=CC2=C(C3=C([NH]2)C(=NC=C3)C)C=C4
• InChI: 1S/C18H18N2O7/c1-7-12-10(4-5-19-7)9-3-2-8(6-11(9)20-12)26-18-15(23)13(21)14(22)16(27-18)17(24)25/h2-6,13-16,18,20-23H,1H3,(H,24,25)/t13-,14-,15+,16-,18?/m0/s1
• InChIKey: CDBONOOLMKZYJF-PDHYLSHYSA-N

Properties

• Density: 1.655g/cm³ (Cal.)
• Boiling point: 745.058°C at 760 mmHg (Cal.)
• Flash point: 404.397°C (Cal.)