1-O-(2-{[3-(Hydroxymethyl)-2-methylphenyl]amino}benzoyl)hexopyranuronic acid
[CAS# 152832-29-6]

Identification

• Name: 1-O-(2-{[3-(Hydroxymethyl)-2-methylphenyl]amino}benzoyl)hexopyranuronic acid
• Synonyms: 3-Hydroxymethyl Mefenamic Acid Acyl-¦Â-D-glucuronide; 3-HYDROXYMETHYL MEFENAMIC ACID ACYL-Î’-D-GLUCURONIDE
• Molecular Formula: C₂₁H₂₃NO₉
• Molecular Weight: 433.41
• CAS Registry Number: 152832-29-6
• SMILES: Cc1c(cccc1Nc2ccccc2C(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O)CO
• InChI: 1S/C21H23NO9/c1-10-11(9-23)5-4-8-13(10)22-14-7-3-2-6-12(14)20(29)31-21-17(26)15(24)16(25)18(30-21)19(27)28/h2-8,15-18,21-26H,9H2,1H3,(H,27,28)
• InChIKey: GQQNPPRHZMQONU-UHFFFAOYSA-N

Properties

• Density: 1.546g/cm³ (Cal.)
• Boiling point: 713.692°C at 760 mmHg (Cal.)
• Flash point: 385.427°C (Cal.)
• Refractive index: 1.68 (Cal.)