Tolmetin Glucuronide
[CAS# 71595-19-2]

Identification

• Name: Tolmetin Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-[1-Methyl-5-(4-Methylbenzoyl)Pyrrol-2-Yl]Acetyl]Oxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-[1-Methyl-5-[(4-Methylphenyl)-Oxomethyl]-2-Pyrrolyl]-1-Oxoethoxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-[1-Methyl-5-(4-Methylphenyl)Carbonyl-Pyrrol-2-Yl]Ethanoyloxy]Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₁H₂₃NO₉
• Molecular Weight: 433.41
• CAS Registry Number: 71595-19-2
• SMILES: [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)OC(CC2=CC=C([N]2C)C(C3=CC=C(C=C3)C)=O)=O
• InChI: 1S/C21H23NO9/c1-10-3-5-11(6-4-10)15(24)13-8-7-12(22(13)2)9-14(23)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h3-8,16-19,21,25-27H,9H2,1-2H3,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
• InChIKey: MEFIGCPEYJZFFC-ZFORQUDYSA-N

Properties

• Density: 1.506g/cm³ (Cal.)
• Boiling point: 706.131°C at 760 mmHg (Cal.)
• Flash point: 380.854°C (Cal.)