1'-Hydroxymidazolam-beta-D-Glucuronide
[CAS# 81256-81-7]

Identification

• Name: 1'-Hydroxymidazolam-beta-D-Glucuronide
• Synonyms: (2S,3S,4S,5R,6R)-6-[[8-Chloro-6-(2-Fluorophenyl)-4H-Imidazo[1,5-A][1,4]Benzodiazepin-1-Yl]Methoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[[8-Chloro-6-(2-Fluorophenyl)-4H-Imidazo[1,5-A][1,4]Benzodiazepin-1-Yl]Methoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-6-[[8-Chloro-6-(2-Fluorophenyl)-4H-Imidazo[1,5-A][1,4]Benzodiazepin-1-Yl]Methoxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₄H₂₁ClFN₃O₇
• Molecular Weight: 517.90
• CAS Registry Number: 81256-81-7
• SMILES: [C@@H]5(OCC1=NC=C3[N]1C2=CC=C(Cl)C=C2C(=NC3)C4=CC=CC=C4F)O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O
• InChI: 1S/C24H21ClFN3O7/c25-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)26)28-9-12-8-27-17(29(12)16)10-35-24-21(32)19(30)20(31)22(36-24)23(33)34/h1-8,19-22,24,30-32H,9-10H2,(H,33,34)/t19-,20-,21+,22-,24+/m0/s1
• InChIKey: ICIUMXQTLQXWGL-QMDPOKHVSA-N

Properties

• Density: 1.683g/cm³ (Cal.)
• Boiling point: 787.962°C at 760 mmHg (Cal.)
• Flash point: 430.344°C (Cal.)