1.0 2016-05-25 18:23:56 UTC 2026-08-19 09:07:29 UTC Bromfenac SmallMolecule Bromfenac is an organic compound with the formula C15H12BrNO3 and an average molecular weight of 334.17 g/mol. Bromfenac belongs to the benzophenones, a subclass of benzene and substituted derivatives within the organic compounds. This compound acts as an inhibitor of the protein targets Prostaglandin G/H synthase 1 (PTGS1) and Prostaglandin G/H synthase 2 (PTGS2). The substance is found in or released from three recorded sources: non-electric simulated smoking devices (household cleaning & consumer products), electrically stimulated smoking devices (electrical & electronic equipment), and antiinflammatory agents (healthcare, pharmaceuticals & veterinary products). The recorded exposure route for this compound is ophthalmic. C15H12BrNO3 334.165 333.000055902 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid bromfenac 91714-94-2 NC1=C(CC(O)=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1 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) ZBPLOVFIXSTCRZ-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzophenones Benzophenones Amino acids Aniline and substituted anilines Aryl bromides Aryl-phenylketones Benzoyl derivatives Bromobenzenes Carboxylic acids Diphenylmethanes Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organobromides Organopnictogen compounds Primary amines Vinylogous amides Amine Amino acid Amino acid or derivatives Aniline or substituted anilines Aromatic homomonocyclic compound Aryl bromide Aryl halide Aryl ketone Aryl-phenylketone Benzophenone Benzoyl Bromobenzene Carbonyl group Carboxylic acid Carboxylic acid derivative Diphenylmethane Halobenzene Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organobromide Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Vinylogous amide Aromatic homomonocyclic compounds aromatic amino acid benzophenones organobromine compound substituted aniline Detected and Not Quantified Bromfenac Action Pathway SMP0000102 Bromfenac NSAID Action Pathway SMP0126376 Bromfenac Drug Metabolism Action Pathway SMP0143393 logp 3.66 logp 3.00 ALOGPS logs -4.42 ALOGPS solubility 1.26e-02 g/l ALOGPS logp 3.66 ChemAxon pka_strongest_acidic 3.81 ChemAxon pka_strongest_basic 1.59 ChemAxon iupac 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid ChemAxon average_mass 334.165 ChemAxon mono_mass 333.000055902 ChemAxon smiles NC1=C(CC(O)=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1 ChemAxon formula C15H12BrNO3 ChemAxon 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) ChemAxon inchikey ZBPLOVFIXSTCRZ-UHFFFAOYSA-N ChemAxon polar_surface_area 80.39 ChemAxon refractivity 80.26 ChemAxon polarizability 29.93 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bd014ec50> DB00963 60726 54730 BE0000017 BE0000262