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Etoricoxib-[d3]

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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