BROFEZIL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

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

Structure Search

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

Molecular Formula	C12H10BrNO2S
Molecular Weight	312.182
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://www.pharmacopoeia.com/ban-2012/ban-2017.pdf | https://www.who.int/medicines/services/inn/RevisedFinalStemBook2006.pdf

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

Originator

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
inflammatory response 47 Target ID: GO:0006954 Sources: https://www.pharmacopoeia.com/ban-2012/ban-2017.pdf \| https://www.who.int/medicines/services/inn/RevisedFinalStemBook2006.pdf	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:38:19 GMT 2023` Edited by `admin` on `Fri Dec 15 16:38:19 GMT 2023`
Record UNII	E375EMI4HW
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BROFEZIL

Official Name

English

4-(P-BROMOPHENYL)-.ALPHA.-METHYL-2-THIAZOLEACETIC ACID

Common Name

English

ICI-54594 FREE ACID

Code

English

ICI 54,594 FREE ACID

Code

English

brofezil [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C257

Created by admin on Fri Dec 15 16:38:19 GMT 2023 , Edited by admin on Fri Dec 15 16:38:19 GMT 2023

Code System Code Type Description

ChEMBL

CHEMBL2103949

Created by admin on Fri Dec 15 16:38:19 GMT 2023 , Edited by admin on Fri Dec 15 16:38:19 GMT 2023

PRIMARY

FDA UNII

E375EMI4HW

Created by admin on Fri Dec 15 16:38:19 GMT 2023 , Edited by admin on Fri Dec 15 16:38:19 GMT 2023

PRIMARY

NCI_THESAURUS

C74329

Created by admin on Fri Dec 15 16:38:19 GMT 2023 , Edited by admin on Fri Dec 15 16:38:19 GMT 2023

PRIMARY

CAS

17969-45-8

Created by admin on Fri Dec 15 16:38:19 GMT 2023 , Edited by admin on Fri Dec 15 16:38:19 GMT 2023

PRIMARY

INN

3606

Created by admin on Fri Dec 15 16:38:19 GMT 2023 , Edited by admin on Fri Dec 15 16:38:19 GMT 2023

PRIMARY

EPA CompTox

DTXSID90864810

Created by admin on Fri Dec 15 16:38:19 GMT 2023 , Edited by admin on Fri Dec 15 16:38:19 GMT 2023

PRIMARY

PUBCHEM

189879

Created by admin on Fri Dec 15 16:38:19 GMT 2023 , Edited by admin on Fri Dec 15 16:38:19 GMT 2023

PRIMARY

EVMPD

SUB05900MIG

Created by admin on Fri Dec 15 16:38:19 GMT 2023 , Edited by admin on Fri Dec 15 16:38:19 GMT 2023

PRIMARY

SMS_ID

100000088667

Created by admin on Fri Dec 15 16:38:19 GMT 2023 , Edited by admin on Fri Dec 15 16:38:19 GMT 2023

PRIMARY

Related Record Type Details


					HV20187R6R

BROFEZIL SODIUM

SALT/SOLVATE -> PARENT


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ENANTIOMER -> RACEMATE


					T945VRF40G

ENANTIOMER -> RACEMATE

Related Record Type Details


					E375EMI4HW

BROFEZIL

ACTIVE MOIETY