3-Cysteinylacetaminophen Trifluoroacetic Acid Salt

CAS: 1331891-93-0

Ref. TR-C994750

Product Information

• Name: 3-Cysteinylacetaminophen Trifluoroacetic Acid Salt
• Synonyms: 3-Cysteinylacetaminophen Tfa Salt
• Brand: TRC

Description

Stability Hygroscopic
Applications 3-Cysteinylacetaminophen Trifluoroacetic Acid Salt is a metabolite of Acetaminophen (A161220), an analgesic and antipyretic agent used as a pain reliever to treat headache, muscle aches, and arthritis (1,2,3).
References (1) McGill, M. R. and Jaeschke, H. Pharm Res. 30, 2174 (2013)(2) Fairbrother, J.E., et al.: Anal. Profiles Drug Subs., 3, 1 (1974) (3) Hinson, J.A., et al.: Rev. Biochem. Toxicol., 2, 103 (1980)

Chemical properties

• Molecular weight: 384.33
• Formula: C₁₁H₁₄N₂O₄S·C₂HF₃O₂
• Color/Form: Neat
• InChI: InChI=1S/C11H14N2O4S.C2HF3O2/c1-6(14)13-7-2-3-9(15)10(4-7)18-5-8(12)11(16)17;3-2(4,5)1(6)7/h2-4,8,15H,5,12H2,1H3,(H,13,14)(H,16,17);(H,6,7)/t8-;/m0./s1
• InChI key: InChIKey=PDZGEXMJHANKLR-QRPNPIFTSA-N
• SMILES: CC(=O)Nc1ccc(O)c(SC[C@H](N)C(=O)O)c1.O=C(O)C(F)(F)F