Compound: fenbufen
SMILES: O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIKey: ZPAKPRAICRBAOD-UHFFFAOYSA-N
Synonyms: fenbufen, 36330-85-5, 4-(4-Biphenylyl)-4-oxobutyric acid, 3-(4-Biphenylylcarbonyl)propionic acid, 3-(4-Phenylbenzoyl)propionic acid, Fenbufene, 4-(biphenyl-4-yl)-4-oxobutanoic acid, CL-82204, Fenbufenum, gamma-Oxo(1,1'-biphenyl)-4-butanoic acid, 3-(4-Biphenylcarbonyl)propionic acid, DTXSID9023043, NSC-757812, CL 82,204, 9815R1WR9B, (1,1'-BIPHENYL)-4-BUTANOIC ACID, gamma-OXO-, DTXCID703043, CHEBI:31599, 4-[1,1'-biphenyl-4-yl]-4-oxobutanoic acid, 4-(1,1'-biphenyl-4-yl)-4-oxobutanoic acid, Lederfen cp, Lederfen f, Fenbuzip 300, Fenbuzip 450, Lederfen 450, RefChem:598857, M01AE05, 252-979-0, Lederfen, Cinopal, Bufemid, Napanol, 4-([1,1'-biphenyl]-4-yl)-4-oxobutanoic acid, 4-oxo-4-(4-phenylphenyl)butanoic acid, 4-(4-biphenyl)-4-oxobutyric acid, MFCD00056701, CL 82204, 4-biphenyl-4-yl-4-oxobutanoic acid, Butyric acid 4-(4-biphenyl)-4-oxo-, MLS000069810, Propionic acid, 3-(4-biphenylylcarbonyl)-, SMR000059150, CHEMBL277522, [1,1'-Biphenyl]-4-butanoic acid, .gamma.-oxo-, Fenbufen 100 microg/mL in Acetonitrile, NCGC00016834-01, CAS-36330-85-5, Cinopol, Fenbufene [INN-French], Fenbufenum [INN-Latin], beta,p-Phenylbenzoylpropionic acid, SR-01000721906, EINECS 252-979-0, BRN 2378560, Diphenyl-4-gamma-oxo-gamma-butyric acid, (1,1'-BIPHENYL)-4-BUTANOIC ACID, .GAMMA.-OXO-, UNII-9815R1WR9B, Fenbufen CRS, Fenbufen [USAN:INN:BAN:JAN], Prestwick_567, 3-(4-Phenyl)benzoyl propionic acid, Fenbufen (Standard), Fenbufen, 96%, Spectrum_001248, FENBUFEN [USAN], Opera_ID_464, FENBUFEN [INN], FENBUFEN [JAN], FENBUFEN [MI], Prestwick0_000218, Prestwick1_000218, Prestwick2_000218, Prestwick3_000218, Spectrum2_001389, Spectrum3_001430, Spectrum4_000411, Spectrum5_001528, FENBUFEN [MART.], FENBUFEN [WHO-DD], SCHEMBL25117, BSPBio_000235, BSPBio_003140, Fenbufen, analytical standard, KBioGR_000702, KBioSS_001728, 3-10-00-03334 (Beilstein Handbook Reference), MLS001074090, DivK1c_000025, SPECTRUM1501008, SPBio_001378, SPBio_002156, BPBio1_000259, Fenbufen (JP17/USAN/INN), orb1310227, FENBUFEN [EP MONOGRAPH], HMS500B07, HY-B1138R, KBio1_000025, KBio2_001728, KBio2_004296, KBio2_006864, KBio3_002360, NINDS_000025, HMS1568L17, HMS1921B13, HMS2090G14, HMS2092B03, HMS2095L17, HMS2235I24, HMS3372M18, HMS3712L17, HMS3885N06, HMS5083B07, Pharmakon1600-01501008, 4-biphenyl-4-yl-4-oxobutyric acid, HY-B1138, MSK10338, PXB94096, .beta.,p-Phenylbenzoylpropionic acid, Tox21_110638, BDBM50240374, CCG-38988, EBC-02045, NSC757812, s4526, STK202178, 4-biphenyl-4-yl-4-oxo-butyric acid, AKOS000200430, Tox21_110638_1, CS-4743, DB08981, NSC 757812, SS-4225, 3-(4'-biphenylcarbonyl) propanoic acid, IDI1_000025, 3-(4-biphenylylcarbonyl)-propionic acid, NCGC00016834-02, NCGC00016834-03, NCGC00016834-04, NCGC00016834-07, NCGC00094886-01, NCGC00094886-02, NCGC00094886-03, AC-14459, SBI-0051631.P002, AB00052195, gamma-oxo(1,1''-biphenyl)-4-butanoic acid, gamma-Oxo-(1,1'-biphenyl)-4-butanoic acid, NS00008115, .gamma.-Oxo(1,1'-biphenyl)-4-butanoic acid, Diphenyl-4-.gamma.-oxo-.gamma.-butyric acid, EN300-14196, 4-([1,1'-biphenyl]-4-yl)-4-oxobutanoicacid, 4-[1,1''-biphenyl-4-yl]-4-oxobutanoic acid, D01344, 4-[1,1'-Biphenyl]-4-yl-4-oxobutanoic acid #, AB00052195-13, AB00052195_14, F207216, Q2304195, SR-01000721906-2, SR-01000721906-4, SR-01000721906-5, BRD-K12513978-001-05-0, BRD-K12513978-001-16-7, BRD-K12513978-001-24-1, Z99599540, Fenbufen, European Pharmacopoeia (EP) Reference Standard
Theoretical properties:
molecular_formula: C16H14O3
molecular_weight: 254.28 g/mol
exact_mass: 254.094294304 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 5
heavy_atom_count: 19
topological_polar_surface_area: 54.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 185-187
Descriptions:
pubchem: Fenbufen is a member of biphenyls and a 4-oxo monocarboxylic acid. It has a role as a non-steroidal anti-inflammatory drug.
chembl: FENBUFEN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Fenbufen is a nonsteroidal anti-inflammatory drug used to treat pain.
Fenbufen is a member of the propionic acid derivatives class of drugs.
It was introduced by American Cyanamid under the trade name Lederfen in the 1980s. Due to liver toxicity, it was withdrawn from markets in the developed world in 2010.
As of 2015 it was available in Taiwan and Thailand under several brand names.