4-Acetamidophenyl β-D-Glucuronide Sodium Salt

CAS: 120595-80-4

Ref. TR-A158500

Product Information

• Name: 4-Acetamidophenyl β-D-Glucuronide Sodium Salt
• Synonyms: sodium;(2S,3S,4S,5R,6S)-6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylate, p-Acetamidophenyl beta-D-glucuronide, sodium (2R,3R,4R,5S,6S)-6-(4-acetamidophenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate

Description

Stability Hygroscopic
Applications 4-Acetamidophenyl β-D-Glucuronide is a major urinary metabolite of Acetaminophen (A161220) (Paracetamol) in human (1). Acetaminophen is an analgesic and antipyretic agent and used as a pain reliever to treat headache, muscle aches, and arthritis (2,3).
References (1) Johnston, D., et al.: J. Chem. Res., Synop., 12, 406 (1988)(2) McGill, M. R. and Jaeschke, H. Pharm Res. 30, 2174 (2013)(3) Fairbrother, J.E., et al.: Anal. Profiles Drug Subs., 3, 1 (1974)

• Brand: TRC

Chemical properties

• Molecular weight: 349.27
• Formula: C₁₄H₁₆NO₈·Na
• Color/Form: White To Light Red
• InChI: InChI=1S/C14H17NO8.Na/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21;/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21);/q;+1/p-1/t9-,10-,11+,12-,14+;/m0./s1
• InChI key: InChIKey=OINXIJJEOMGKPB-CYRSAHDMSA-M
• SMILES: CC(=O)Nc1ccc(O[C@@H]2O[C@H](C(=O)O[Na])[C@@H](O)[C@H](O)[C@H]2O)cc1