Product Information
Name:rac-Acetaminophen Mercapturate-d5 (Major)
Controlled Product
Synonyms:
- Paracetamol Mercapturate-d5
- APAP-CYS-NAc-d5 (Major)
- rac-N-Acetyl-2-(N-acetyl-cysteinyl)-4-aminophenol-d5 (Msjor)
Brand:TRC
Description:Applications rac-Acetaminophen Mercapturate-d5 (Major), is a labeled analogue and free acid of 3-(N-Acetyl-L-cystein-S-yl) Acetaminophen Disodium Salt (A172100), which is a metabolite of Acetaminophen (A161220). Acetaminophen is an analgesic and antipyretic agent used as a pain reliever to treat headache, muscle aches, and arthritis (1,2,3).References van der Hooft, J.,et al.: Metabolomics, 12, 1 (2016)
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Chemical properties
Molecular weight:317.37
Formula:C13H11D5N2O5S
Color/Form:Neat
InChI:InChI=1S/C13H16N2O5S/c1-7(16)14-9-3-4-11(18)12(5-9)21-6-10(13(19)20)15-8(2)17/h3-5,10,18H,6H2,1-2H3,(H,14,16)(H,15,17)(H,19,20)/i1D3,3D,5D
InChI key:InChIKey=DVPRQNKJGQEICH-CUCQBNOMSA-N
SMILES:[2H]c1cc(O)c(SCC(NC(C)=O)C(=O)O)c([2H])c1NC(=O)C([2H])([2H])[2H]
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