4-Acetamidophenyl β-D-Glucuronide-d3 Sodium Salt

CAS: 1260619-61-1

Ref. TR-A158502

Product Information

• Name: 4-Acetamidophenyl β-D-Glucuronide-d3 Sodium Salt
• Synonyms: Acetaminophen Glucuronide-d3 Sodium Salt, Paracetamol Glucuronide-d3 sodium salt

Description

Stability hygroscopic
Applications 4-Acetamidophenyl β-D-Glucuronide-d3 Sodium Salt is deuterium labeled 4-Acetamidophenyl β-D-Glucuronide (A158500), 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: 352.29
• Formula: C₁₄H₁₃D₃NNaO₈
• Color/Form: Off-White
• 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/i1D3
• InChI key: InChIKey=OINXIJJEOMGKPB-OSQJLVBPSA-M
• SMILES: [2H]C([2H])([2H])C(=O)Nc1ccc(O[C@@H]2O[C@H](C(=O)O[Na])[C@@H](O)[C@H](O)[C@H]2O)cc1