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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.

Etoricoxib-[d3]

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General Information
Catalog: BLP-011573
CAS: 850896-71-8
Molecular Formula: C18H12D3ClN2O2S
Molecular Weight: 361.87
Chemical Structure
Etoricoxib-[d3]
Description Etoricoxib-[d3] is the labelled analogue of Etoricoxib, which is used as a selective COX-2 inhibitor.
Synonyms Etoricoxib D3; 5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine-d3; Algix-d3; Arcoxia-d3; Etobrix-d3; Etocox-d3; Etoxib-d3; Etropain-d3; Kingcox-d3; MK 0663-d3; MK 663-d3; Tauxib-d3; Torcoxia-d3; Etoricoxib-d3
IUPAC Name 5-chloro-2-(6-methylpyridin-3-yl)-3-[4-(trideuteriomethylsulfonyl)phenyl]pyridine
Related CAS 202409-33-4 (unlabelled)
Isomeric SMILES [2H]C([2H])([2H])S(=O)(=O)C1=CC=C(C=C1)C2=C(N=CC(=C2)Cl)C3=CN=C(C=C3)C
Canonical SMILES CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C
InChI InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3/i2D3
InChI Key MNJVRJDLRVPLFE-BMSJAHLVSA-N
Melting Point 135-137 °C
Purity ≥98%; ≥98% atom D
Solubility Soluble in Methanol (Slightly)
Appearance White Solid
Storage Store at -20°C
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