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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O2
Molecular Weight 192.2542
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IBUFENAC

SMILES

CC(C)CC1=CC=C(CC(O)=O)C=C1

InChI

InChIKey=CYWFCPPBTWOZSF-UHFFFAOYSA-N
InChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)

HIDE SMILES / InChI
Molecular Formula C12H16O2
Molecular Weight 192.2542
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including http://www.ncbi.nlm.nih.gov/pubmed/14261081

Ibufenac was used as an analgesic and anti-inflammatory agent, but was withdrawn from the market due to hepatotoxicity.

Originator

Boots Pure Drug Company
1
Curator's Comment: Adams, Cliffe, Lessel, and Nicholson (1963) from the Research Laboratories of Boots Pure Drug Company, Nottingham, reported the biological properties of a new substance, 4-isobutylphenyl acetic acid (Ibufenac).

Approval Year

Unknown
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Withdrawn
Dytransin

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Patents

Patents

JP2006524634A
46
JPS5253833A
1

Sample Use Guides

In Vivo Use Guide
Curator's Comment: Most patients received 2 to 4 weeks' therapy but in certain instances long-term treatment was continued.
The daily dose varied between 6 and 15 tablets each containing 250 mg.
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 14:59:10 GMT 2023
Edited
by admin
on Fri Dec 15 14:59:10 GMT 2023
Record UNII
5V4WIX44VI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IBUFENAC
INN   JAN   MART.   MI   USAN   WHO-DD  
USAN   INN  
Official Name English
RD-11654
Code English
IBUFENAC [USAN]
Common Name English
IBUFENAC [JAN]
Common Name English
BENZENEACETIC ACID, 4-(2-METHYLPROPYL)-
Common Name English
(P-ISOBUTYLPHENYL)ACETIC ACID
Common Name English
IBUFENAC [MART.]
Common Name English
ibufenac [INN]
Common Name English
IBUFENAC [MI]
Common Name English
NSC-99976
Code English
RD 11654
Code English
Ibufenac [WHO-DD]
Common Name English
DYTRANSIN
Brand Name English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
Code System Code Type Description
EVMPD
SUB08097MIG
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
FDA UNII
5V4WIX44VI
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
DRUG CENTRAL
3293
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
CAS
1553-60-2
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
NCI_THESAURUS
C96750
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
PUBCHEM
15250
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-302-2
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
INN
1649
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
SMS_ID
100000083648
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
MESH
C100118
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
NSC
99976
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID0044107
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
MERCK INDEX
m1190
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY Merck Index
CHEBI
76158
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
ChEMBL
CHEMBL341812
Created by admin on Fri Dec 15 14:59:10 GMT 2023 , Edited by admin on Fri Dec 15 14:59:10 GMT 2023
PRIMARY
Related Record Type Details
Structure of IBUFENAC
ACTIVE MOIETY
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