bromfenac   

GtoPdb Ligand ID: 7131

Synonyms: AHR-10282B | Bromday® | Prolensa® | Xibrom®
bromfenac is an approved drug (FDA (2004), EMA (2011))
Compound class: Synthetic organic
Comment: Bromfenac is a nonsteroidal anti-inflammatory drug (NSAID).
Marketed formulations may contain bromfenac sodium (PubChem CID 23693301).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 80.39
Molecular weight 333
XLogP 3.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br
Isomeric SMILES OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br
InChI InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)
InChI Key ZBPLOVFIXSTCRZ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes (FDA (2004), EMA (2011))
IUPAC Name
2-[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid
International Nonproprietary Names
INN number INN
5892 bromfenac
Synonyms
AHR-10282B | Bromday® | Prolensa® | Xibrom®
Database Links
CAS Registry No. 91714-94-2
ChEMBL Ligand CHEMBL1077
DrugBank Ligand DB00963
DrugCentral Ligand 401
GtoPdb PubChem SID 178103707
PubChem CID 60726
RCSB PDB Ligand 27R
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Wikipedia Bromfenac