Oxazepam Glucuronide
[CAS# 6801-81-6]

Identification

• Name: Oxazepam Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-[(7-Chloro-2-Oxo-5-Phenyl-1,3-Dihydro-1,4-Benzodiazepin-3-Yl)Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[(7-Chloro-2-Oxo-5-Phenyl-1,3-Dihydro-1,4-Benzodiazepin-3-Yl)Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[(7-Chloro-2-Keto-5-Phenyl-1,3-Dihydro-1,4-Benzodiazepin-3-Yl)Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₁H₁₉ClN₂O₈
• Molecular Weight: 462.84
• CAS Registry Number: 6801-81-6
• SMILES: [C@@H]4(OC2N=C(C1=CC(=CC=C1NC2=O)Cl)C3=CC=CC=C3)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O
• InChI: 1S/C21H19ClN2O8/c22-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)24-19(18(28)23-12)32-21-16(27)14(25)15(26)17(31-21)20(29)30/h1-8,14-17,19,21,25-27H,(H,23,28)(H,29,30)/t14-,15-,16+,17-,19?,21-/m0/s1
• InChIKey: FIKQKGFUBZQEBL-IFBJMGMISA-N

Properties

• Density: 1.704g/cm³ (Cal.)
• Boiling point: 758.827°C at 760 mmHg (Cal.)
• Flash point: 412.724°C (Cal.)