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Details

Stereochemistry ACHIRAL
Molecular Formula C11H9F3N2
Molecular Weight 226.1978
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CELECOXIB N-DES(BENZENESULFONAMIDE)

SMILES

CC1=CC=C(C=C1)C2=CC(=NN2)C(F)(F)F

InChI

InChIKey=NQEFIPVOJGJVRG-UHFFFAOYSA-N
InChI=1S/C11H9F3N2/c1-7-2-4-8(5-3-7)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C11H9F3N2
Molecular Weight 226.1978
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:24:00 GMT 2023
Edited
by admin
on Sat Dec 16 11:24:00 GMT 2023
Record UNII
G5K9F2B76J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CELECOXIB N-DES(BENZENESULFONAMIDE)
Common Name English
1H-PYRAZOLE, 5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-
Systematic Name English
5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
Systematic Name English
5-(4-METHYLPHENYL)-3-TRIFLUOROMETHYL-1H-PYRAZOLE
Systematic Name English
Code System Code Type Description
FDA UNII
G5K9F2B76J
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
DAILYMED
G5K9F2B76J
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
4166967
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
1A00920
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
948293-46-7
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
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