1.0 2016-05-22 03:38:05 UTC 2026-08-19 20:37:54 UTC Bumetanide SmallMolecule Bumetanide is an organic compound with the formula C17H20N2O5S and an average molecular weight of 364.42 g/mol. Bumetanide belongs to the diphenylethers, a subclass of benzene and substituted derivatives within the organic compounds. It functions biologically as a diuretic (PMC8766311). The compound is recorded as being found in or released from 15 sources, including healthcare, pharmaceuticals & veterinary products such as gynecologicals and diuretics; food, food processing & cookware specifically for food preservation; household cleaning & consumer products including soap detergents, perfumes within detergents and soaps, cigar cigarettes, other smoking requisites, and non electric simulated smoking devices; and electrical & electronic equipment including antennas, conductors or conductive bodies characterised by the conductive materials, electrodes, electric hearing aids, and electrically stimulated smoking devices. Recorded exposure routes include oral, nasal, intravenous, and intramuscular administration. Bumetanide acts on five recorded protein targets, serving as an antagonist/inhibitor of the solute carrier family 12 member 1 (SLC12A1), solute carrier family 12 member 2 (SLC12A2), solute carrier family 12 member 4 (SLC12A4), and the cystic fibrosis transmembrane conductance regulator (CFTR), along with one other protein. Regarding health effects, the compound is associated with loss of appetite (PMC8766311) and has a therapeutic effect on epilepsy (PMC8766311). Human Neurotoxin C17H20N2O5S 364.416 364.10929245 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid bumetanide 28395-03-1 CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23) MAEIEVLCKWDQJH-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Diphenylethers Diphenylethers Amino acids Aminobenzenesulfonamides Aminobenzoic acids Aminosulfonyl compounds Aniline and substituted anilines Benzenesulfonyl compounds Benzoic acids Benzoyl derivatives Carboxylic acids Diarylethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Organosulfonamides Phenol ethers Phenoxy compounds Phenylalkylamines Secondary alkylarylamines Amine Amino acid Amino acid or derivatives Aminobenzenesulfonamide Aminobenzoic acid Aminobenzoic acid or derivatives Aminosulfonyl compound Aniline or substituted anilines Aromatic homomonocyclic compound Benzenesulfonamide Benzenesulfonyl group Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Diaryl ether Diphenylether Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid amide Organosulfonic acid or derivatives Organosulfur compound Phenol ether Phenoxy compound Phenylalkylamine Secondary aliphatic/aromatic amine Secondary amine Sulfonyl Aromatic homomonocyclic compounds amino acid benzoic acids sulfonamide Detected and Not Quantified Bumetanide Action Pathway SMP0000088 Bumetanide Diruretic Action Pathway SMP0124517 Bumetanide Drug Metabolism Action Pathway SMP0143321 Bumetanide Predicted Metabolism Pathway SMP0174571 logp 2.42 logp 3.44 ALOGPS logs -4.15 ALOGPS solubility 2.57e-02 g/l ALOGPS logp 2.42 ChemAxon pka_strongest_acidic 4.69 ChemAxon pka_strongest_basic 2.7 ChemAxon iupac 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid ChemAxon average_mass 364.416 ChemAxon mono_mass 364.10929245 ChemAxon smiles CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O ChemAxon formula C17H20N2O5S ChemAxon inchi InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23) ChemAxon inchikey MAEIEVLCKWDQJH-UHFFFAOYSA-N ChemAxon polar_surface_area 118.72 ChemAxon refractivity 95.78 ChemAxon polarizability 37.21 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3c3aa00> DB00887 2471 2377 BE0000502 BE0001195 BE0000281 BE0000601 BE0000047