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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
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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.

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

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

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General Information
Catalog: BLP-012759
CAS: 1260619-61-1
Molecular Formula: C14H13D3NNaO8
Molecular Weight: 352.29
Chemical Structure
4-Acetamidophenyl β-D-Glucuronide-[d3] Sodium Salt
Description 4-Acetamidophenyl β-D-Glucuronide-[d3] Sodium Salt is the labelled analogue of 4-Acetamidophenyl β-D-Glucuronide Sodium Salt, which is a major urinary metabolite of Acetaminophen.
Synonyms 4-Acetamidophenyl β-D-Glucuronide-d3 Sodium Salt; Acetaminophen Glucuronide-d3 Sodium Salt; Paracetamol Glucuronide-d3 sodium salt
IUPAC Name sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(2,2,2-trideuterioacetyl)amino]phenoxy]oxane-2-carboxylate
Related CAS 120595-80-4 (unlabelled) 16110-10-4 (unlabelled free acid)
Canonical SMILES CC(=O)NC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)[O-])O)O)O.[Na+]
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/t9-,10-,11+,12-,14+;/m0./s1/i1D3;
InChI Key OINXIJJEOMGKPB-OSQJLVBPSA-M
Melting Point >194°C (dec.)
Purity ≥97% by HPLC; ≥98% atom D
Solubility Soluble in Methanol (Slightly), Water (Slightly)
Appearance White to Off-White Solid
Storage Store at -20°C, Under inert atmosphere
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