U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H16F3N3O2S
Molecular Weight 395.399
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL CELECOXIB

SMILES

CC1=CC(C)=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(N)(=O)=O)C(F)(F)F

InChI

InChIKey=CDMHSMOZNZFYIK-UHFFFAOYSA-N
InChI=1S/C18H16F3N3O2S/c1-11-3-8-15(12(2)9-11)16-10-17(18(19,20)21)23-24(16)13-4-6-14(7-5-13)27(22,25)26/h3-10H,1-2H3,(H2,22,25,26)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-METHYL CELECOXIB
Common Name English
4-(5-(2,4-DIMETHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)BENZENESULFONAMIDE
Systematic Name English
BENZENESULFONAMIDE, 4-(5-(2,4-DIMETHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10069246
Created by admin on Sat Dec 16 11:24:00 GMT 2023 , Edited by admin on Sat Dec 16 11:24:00 GMT 2023
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RS_ITEM_NUM
1098537
Created by admin on Sat Dec 16 11:24:00 GMT 2023 , Edited by admin on Sat Dec 16 11:24:00 GMT 2023
PRIMARY
CAS
170570-09-9
Created by admin on Sat Dec 16 11:24:00 GMT 2023 , Edited by admin on Sat Dec 16 11:24:00 GMT 2023
PRIMARY
FDA UNII
FU7XND9V2J
Created by admin on Sat Dec 16 11:24:00 GMT 2023 , Edited by admin on Sat Dec 16 11:24:00 GMT 2023
PRIMARY