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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
Molecular Formula C12H10BrNO2S
Molecular Weight 312.182
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

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

Originator

Imperial Chemical Industries Ltd.
10

Approval Year

Unknown
149,124

Targets

Primary TargetPharmacologyConditionPotency
inflammatory response
47
Inhibitor
8,504
Substance Class Chemical
Record UNII
E375EMI4HW
Record Status Validated (UNII)
Record Version
NIH
NCATS
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