Desmethyl Celecoxib

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H12F3N3O2S
Molecular Weight	367.346
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NS(=O)(=O)C1=CC=C(C=C1)N2N=C(C=C2C3=CC=CC=C3)C(F)(F)F

InChI

InChIKey=MQPLMBSDWYIIID-UHFFFAOYSA-N

InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24)

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Cyclooxygenase-2 201 Target ID: CHEMBL230 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9135032	Inhibitor 8504		0.032 µM [IC50]

Name

Type

Language

CAY-10452

Preferred Name

English

Desmethyl Celecoxib

Common Name

English

4-[5-Phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide

Systematic Name

English

Benzenesulfonamide, 4-[5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-

Systematic Name

English

4-(5-Phenyl-3-trifluoromethyl-1H-pyrazol-1-yl)benzenesulfonamide

Systematic Name

English

CAY10452

Code

English

Code System Code Type Description

CAS

170569-87-6

Created by admin on Wed Apr 02 17:54:45 GMT 2025 , Edited by admin on Wed Apr 02 17:54:45 GMT 2025

PRIMARY

FDA UNII

228KL4J7NY

Created by admin on Wed Apr 02 17:54:45 GMT 2025 , Edited by admin on Wed Apr 02 17:54:45 GMT 2025

PRIMARY

PUBCHEM

6426663

Created by admin on Wed Apr 02 17:54:45 GMT 2025 , Edited by admin on Wed Apr 02 17:54:45 GMT 2025

PRIMARY

SUBSTANCE RECORD


					228KL4J7NY

Desmethyl Celecoxib