Benoxaprofen Glucuronide
[CAS# 67472-42-8]

Identification

• Name: Benoxaprofen Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-[2-[2-(4-Chlorophenyl)-1,3-Benzoxazol-5-Yl]Propanoyloxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[2-[2-(4-Chlorophenyl)-1,3-Benzoxazol-5-Yl]-1-Oxopropoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[2-[2-(4-Chlorophenyl)-1,3-Benzoxazol-5-Yl]Propanoyloxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₂H₂₀ClNO₉
• Molecular Weight: 477.85
• CAS Registry Number: 67472-42-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)OC(=O)C(C4=CC2=C(OC(=N2)C3=CC=C(Cl)C=C3)C=C4)C
• InChI: 1S/C22H20ClNO9/c1-9(21(30)33-22-17(27)15(25)16(26)18(32-22)20(28)29)11-4-7-14-13(8-11)24-19(31-14)10-2-5-12(23)6-3-10/h2-9,15-18,22,25-27H,1H3,(H,28,29)/t9?,15-,16-,17+,18-,22-/m0/s1
• InChIKey: FMHXTOVNUBYPFK-OLHZERTASA-N

Properties

• Density: 1.614g/cm³ (Cal.)
• Boiling point: 671.114°C at 760 mmHg (Cal.)
• Flash point: 359.677°C (Cal.)