Valdecoxib

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Systematic / IUPAC Name: 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

ID: Reference2037

Other Names: Valdyn;
Kudeq;
4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide;
Bextra;
Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)- ; more

Formula: C16H14N2O3S

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Valdecoxib mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/19/2015 12:04:09 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
InChI Key LNPDTQAFDNKSHK-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N
CAS 181695727
Splash
Other Names Valdyn;
Kudeq;
4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide;
Bextra;
Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)-;
4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide;
p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide;
COX;
4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide

In Other Databases

ChEBI CHEBI:63634
ChemIDPlus 181695727
Wikipedia Valdecoxib
KEGG D02709
DrugBank DB00580
PubChem 119607
ChemSpider 106796
HMDb HMDB05033
ChEMBL CHEMBL865