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Details

Stereochemistry RACEMIC
Molecular Formula C12H10BrNO2S
Molecular Weight 312.182
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROFEZIL

SMILES

CC(C(O)=O)C1=NC(=CS1)C2=CC=C(Br)C=C2

InChI

InChIKey=JGQKYWPSFPCKLW-UHFFFAOYSA-N
InChI=1S/C12H10BrNO2S/c1-7(12(15)16)11-14-10(6-17-11)8-2-4-9(13)5-3-8/h2-7H,1H3,(H,15,16)

HIDE SMILES / InChI

Description

Brofezil (ICI 54594) is an ibuprofen derivative with anti-inflammatory and analgesic activity.

Originator

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
Name Type Language
ICI 54,594 FREE ACID
Preferred Name English
BROFEZIL
INN  
INN  
Official Name English
4-(P-BROMOPHENYL)-.ALPHA.-METHYL-2-THIAZOLEACETIC ACID
Common Name English
ICI-54594 FREE ACID
Code English
brofezil [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Mon Mar 31 18:33:16 GMT 2025 , Edited by admin on Mon Mar 31 18:33:16 GMT 2025
Code System Code Type Description
ChEMBL
CHEMBL2103949
Created by admin on Mon Mar 31 18:33:16 GMT 2025 , Edited by admin on Mon Mar 31 18:33:16 GMT 2025
PRIMARY
FDA UNII
E375EMI4HW
Created by admin on Mon Mar 31 18:33:16 GMT 2025 , Edited by admin on Mon Mar 31 18:33:16 GMT 2025
PRIMARY
NCI_THESAURUS
C74329
Created by admin on Mon Mar 31 18:33:16 GMT 2025 , Edited by admin on Mon Mar 31 18:33:16 GMT 2025
PRIMARY
CAS
17969-45-8
Created by admin on Mon Mar 31 18:33:16 GMT 2025 , Edited by admin on Mon Mar 31 18:33:16 GMT 2025
PRIMARY
INN
3606
Created by admin on Mon Mar 31 18:33:16 GMT 2025 , Edited by admin on Mon Mar 31 18:33:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID90864810
Created by admin on Mon Mar 31 18:33:16 GMT 2025 , Edited by admin on Mon Mar 31 18:33:16 GMT 2025
PRIMARY
PUBCHEM
189879
Created by admin on Mon Mar 31 18:33:16 GMT 2025 , Edited by admin on Mon Mar 31 18:33:16 GMT 2025
PRIMARY
EVMPD
SUB05900MIG
Created by admin on Mon Mar 31 18:33:16 GMT 2025 , Edited by admin on Mon Mar 31 18:33:16 GMT 2025
PRIMARY
SMS_ID
100000088667
Created by admin on Mon Mar 31 18:33:16 GMT 2025 , Edited by admin on Mon Mar 31 18:33:16 GMT 2025
PRIMARY
ACTIVE MOIETY
Structure of BROFEZIL
SALT/SOLVATE (PARENT)
Structure of BROFEZIL SODIUM
NIH
NCATS
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