Etoricoxib N1'-oxide

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For Research Use Only | Not For Clinical Use
CATAPS325855741
CAS325855-74-1
Structure
Synonyms5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine 1'-Oxide
IUPAC Name5-chloro-2-(6-methyl-1-oxidopyridin-1-ium-3-yl)-3-(4-methylsulfonylphenyl)pyridine
Molecular Weight374.84
Molecular FormulaC18H15ClN2O3S
Canonical SMILESCc1ccc(c[n+]1[O-])c2ncc(Cl)cc2c3ccc(cc3)S(=O)(=O)C
InChIInChI=1S/C18H15ClN2O3S/c1-12-3-4-14(11-21(12)22)18-17(9-15(19)10-20-18)13-5-7-16(8-6-13)25(2,23)24/h3-11H,1-2H3
Accurate Mass374.0492
FormatNeat
Product TypeMetabolite
SubcategoryPharmaceutical and veterinary compounds and metabolites
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