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

Molecular Formula	C16H12F3N3O2S
Molecular Weight	367.346
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Cyclooxygenase-2 196 Target ID: CHEMBL230 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9135032	Inhibitor 8297		0.032 µM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:57:59 GMT 2023` Edited by `admin` on `Sat Dec 16 19:57:59 GMT 2023`
Record UNII	228KL4J7NY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Desmethyl Celecoxib

Common Name

English

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

Systematic Name

English

CAY-10452

Code

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 Sat Dec 16 19:57:59 GMT 2023 , Edited by admin on Sat Dec 16 19:57:59 GMT 2023

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FDA UNII

228KL4J7NY

Created by admin on Sat Dec 16 19:57:59 GMT 2023 , Edited by admin on Sat Dec 16 19:57:59 GMT 2023

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PUBCHEM

6426663

Created by admin on Sat Dec 16 19:57:59 GMT 2023 , Edited by admin on Sat Dec 16 19:57:59 GMT 2023

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