Suprofen Acyl Glucuronide
[CAS# 96740-53-3]

Identification

• Name: Suprofen Acyl Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-[4-(Thiophene-2-Carbonyl)Phenyl]Propanoyloxy]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[1-Oxo-2-[4-[Oxo-(2-Thienyl)Methyl]Phenyl]Propoxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-
• Molecular Formula: C₂₀H₂₀O₉S
• Molecular Weight: 436.43
• CAS Registry Number: 96740-53-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)OC(=O)C(C3=CC=C(C(=O)C2=CC=CS2)C=C3)C
• InChI: 1S/C20H20O9S/c1-9(10-4-6-11(7-5-10)13(21)12-3-2-8-30-12)19(27)29-20-16(24)14(22)15(23)17(28-20)18(25)26/h2-9,14-17,20,22-24H,1H3,(H,25,26)/t9?,14-,15-,16+,17-,20-/m0/s1
• InChIKey: KXXLFSMVJNYZFS-KQCAFMOFSA-N

Properties

• Density: 1.556g/cm³ (Cal.)
• Boiling point: 672.823°C at 760 mmHg (Cal.)
• Flash point: 360.711°C (Cal.)