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Details

Stereochemistry ACHIRAL
Molecular Formula C17H14F3N3O2S
Molecular Weight 381.372
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-DESMETHYL-2-METHYL CELECOXIB

SMILES

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

InChI

InChIKey=QGNNQDAQBISHQG-UHFFFAOYSA-N
InChI=1S/C17H14F3N3O2S/c1-11-4-2-3-5-14(11)15-10-16(17(18,19)20)22-23(15)12-6-8-13(9-7-12)26(21,24)25/h2-10H,1H3,(H2,21,24,25)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-DESMETHYL-2-METHYL CELECOXIB
Common Name English
CELECOXIB 2-METHYL ANALOG
Common Name English
BENZENESULFONAMIDE, 4-(5-(2-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)-
Systematic Name English
4-(5-(2-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)BENZENESULFONAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
R33DD74FP2
Created by admin on Sat Dec 16 11:24:01 GMT 2023 , Edited by admin on Sat Dec 16 11:24:01 GMT 2023
PRIMARY
CAS
170569-99-0
Created by admin on Sat Dec 16 11:24:01 GMT 2023 , Edited by admin on Sat Dec 16 11:24:01 GMT 2023
PRIMARY
PUBCHEM
10156660
Created by admin on Sat Dec 16 11:24:01 GMT 2023 , Edited by admin on Sat Dec 16 11:24:01 GMT 2023
PRIMARY
RS_ITEM_NUM
1A00240
Created by admin on Sat Dec 16 11:24:01 GMT 2023 , Edited by admin on Sat Dec 16 11:24:01 GMT 2023
PRIMARY
NIH
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