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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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Ibufenac was used as an analgesic and anti-inflammatory agent, but was withdrawn from the market due to hepatotoxicity.

Originator

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Dytransin

PubMed

Sample Use Guides

In Vivo Use Guide
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
Record UNII
5V4WIX44VI
Record Status Validated (UNII)
Record Version