Ibuprofen Acyl-beta-D-Glucuronide
[CAS# 115075-59-7]

Identification

• Classification: Analytical chemistry >> Analytical reagent >> Ion chromatography reagent
• Name: Ibuprofen Acyl-beta-D-Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-(4-Isobutylphenyl)Propanoyloxy]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-(4-Isobutylphenyl)-1-Oxopropoxy]-2-Tetrahydropyrancarboxylic Acid; Ibuprofen Acyl Glucuronide
• Molecular Formula: C₁₉H₂₆O₈
• Molecular Weight: 382.41
• CAS Registry Number: 115075-59-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)OC(=O)C(C2=CC=C(C=C2)CC(C)C)C
• InChI: 1S/C19H26O8/c1-9(2)8-11-4-6-12(7-5-11)10(3)18(25)27-19-15(22)13(20)14(21)16(26-19)17(23)24/h4-7,9-10,13-16,19-22H,8H2,1-3H3,(H,23,24)/t10?,13-,14-,15+,16-,19-/m0/s1
• InChIKey: ABOLXXZAJIAUGR-JPMMFUSZSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 567.283°C at 760 mmHg (Cal.)
• Flash point: 198.253°C (Cal.)