Celecoxib
5001
Reference
Celecoxib Structure
Systematic / IUPAC Name: 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
ID: Reference5001
Other Names:
Articox;
Articoxib;
Artiflex;
Artilog;
Artix
; more
Formula: C17H14F3N3O2S
Class: Therapeutics/Prescription Drugs Sports Doping Drugs
Spectral Data
Celecoxib mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos |
| No. of Spectral Trees | 1 |
| No. of Spectra | 728 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 6/6/2016 1:01:33 PM |
Identificators
| InChI | InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) |
| InChI Key | RZEKVGVHFLEQIL-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F |
| CAS | 169590425 |
| Splash | |
| Other Names |
Articox; Articoxib; Artiflex; Artilog; Artix; Artrixib; Blockten; Caditar; Cefinix; Celact; Celebra; Celebrex; Celecox; Celecoxibum; Onsenal; Solexa; Valdyne; p-[5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide ; 4-[5-(p-Tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide ; 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide ; 4-[5-(p-Tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide; 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-benzenesulfonamide; 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; Benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]- |