CAS:1331911-02-4|3-[N-Acetyl-L-cystein-S-yl] Acetaminophen-d5 Sodium Salt (Major)

Catalogue Number:A172102
Chemical Name:3-[N-Acetyl-L-cystein-S-yl] Acetaminophen-d5 Sodium Salt (Major)
Synonyms:Paracetamol Mercapturate-d5 Sodium Salt; APAP-CYS-NAc-d5 (major) Sodium Salt; Acetaminophen-d5 Mercapturate Sodium Salt
CAS Number:1331911-02-4
Molecular Formula:C₁₃H₁₀D₅N₂NaO₅S
Appearance:Off-White to Dark Yellow Solid
Melting Point:>159°C (dec.)
Molecular Weight:339.35
Storage:-20°C
Solubility:Methanol (Slightly), Water (Slightly)
Stability
Hygroscopic
Category:Standards; Amino Acids; Isotopic Labeled Analogues;
Applications:3-[N-Acetyl-L-cystein-S-yl] Acetaminophen-d5 Sodium Salt (Major) is deuterium labeled 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).Minimum isotopic incorporation d-3, no d-0 present. 64% isotopic incorporation at the 6-position, 89% at the 4-position.
References:(1) Chen, C., et al.: J. Biol. Chem., 283, 4543 (2008)
(2) Reith, D., et al.: Clin. Exper. Pharmacol. Physiol., 36, 35 (2009)
(3) McGill, M. R. and Jaeschke, H. Pharm Res. 30, 2174 (2013)
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