CAS Registry Number®
169590-42-5
CAS Name
Celecoxib
Molecular Formula
C17H14F3N3O2S
Molecular Mass
381.37
Compound Properties
-
Melting Point (1)
157-159 °C
-
Density (2)
1.35 g/cm³ (solid)
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
- (2) Rask, Malte Bille; European Journal of Pharmaceutical Sciences, (2016), 85, 10-17, CAplus
Other Names and Identifiers
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)
InChIKey
InChIKey=RZEKVGVHFLEQIL-UHFFFAOYSA-N
SMILES
C(F)(F)(F)C1=NN(C(=C1)C2=CC=C(C)C=C2)C3=CC=C(S(N)(=O)=O)C=C3
Canonical SMILES
O=S(=O)(N)C1=CC=C(C=C1)N2N=C(C=C2C=3C=CC(=CC3)C)C(F)(F)F
Other Names for this Substance
- Benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-
- 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
- Celecoxib
- SC 58635
- YM 177
- Celebrex
- Celocoxib
- Celebra
- Celecox
- Xilebao
- Medicoxib
- Eurocox
- Onsenal
- 4-[5-(p-Tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
Deleted or Replaced CAS Registry Numbers
184007-95-2, 194044-54-7
