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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Paracetamol Mercapturate-[d5] Sodium Salt

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General Information
Catalog: BLP-006262
CAS: 1331911-02-4
Molecular Formula: C13H10D5N2NaO5S
Molecular Weight: 339.35
Chemical Structure
Paracetamol Mercapturate-[d5] Sodium Salt
Description Paracetamol Mercapturate-[d5] Sodium Salt is the labelled salt of Paracetamol Mercapturate, which is a metabolite of Acetaminophen.
Synonyms 3-[N-Acetyl-L-cystein-S-yl] Acetaminophen-d5 Sodium Salt; Paracetamol Mercapturate-d5 Sodium Salt; APAP-CYS-NAc-d5 Sodium Salt; Acetaminophen-d5 Mercapturate Sodium Salt
IUPAC Name sodium;(2R)-2-acetamido-3-[2,4-dideuterio-6-hydroxy-3-[(2,2,2-trideuterioacetyl)amino]phenyl]sulfanylpropanoate
Related CAS 52372-86-8 (unlabelled) 55748-93-1 (unlabelled free acid)
Canonical SMILES CC(=O)NC1=CC(=C(C=C1)O)SCC(C(=O)[O-])NC(=O)C.[Na+]
InChI InChI=1S/C13H16N2O5S.Na/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);/q;+1/p-1/t10-;/m0./s1/i1D3,3D,5D;
InChI Key JKIDIVFUGFKUBH-SWHSFZNRSA-M
Melting Point >159°C (dec.)
Purity 95%; 95% atom D
Solubility Slightly soluble in Methanol, Water
Appearance Off-white Solid
Storage Store at -20°C under inert atmosphere
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