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Etoricoxib-[d4]

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General Information
Catalog: BLP-011574
CAS: 1131345-14-6
Molecular Formula: C18H11D4ClN2O2S
Molecular Weight: 362.87

Chemical Structure

Description	Etoricoxib-[d4] is the labelled analogue of Etoricoxib, which is used as a selective COX-2 inhibitor.
Synonyms	Etoricoxib D4; 5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine-d4; Algix-d4; Arcoxia-d4; Etobrix-d4; Etocox-d4; Etoxib-d4; Etropain-d4; Kingcox-d4; MK 0663-d4; MK 663-d4; Tauxib-d4; Torcoxia-d4; Etoricoxib-d4
IUPAC Name	5-chloro-2-(6-methylpyridin-3-yl)-3-(2,3,5,6-tetradeuterio-4-methylsulfonylphenyl)pyridine
Related CAS	202409-33-4 (unlabelled)
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/i5D,6D,7D,8D
InChI Key	MNJVRJDLRVPLFE-KDWZCNHSSA-N
Purity	98%
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly, Heated)
Appearance	Light Yellow to Yellow Solid
Storage	Store at -20°C