1.0 2016-05-25 18:21:35 UTC 2026-08-20 01:30:43 UTC Bisoprolol SmallMolecule Bisoprolol is an organic compound with the chemical formula C18H31NO4 and an average molecular weight of 325.44 g/mol. Bisoprolol belongs to the benzylethers, a subclass of benzene and substituted derivatives within the organic compounds. This compound acts as an antagonist for two recorded protein targets: the Beta-1 adrenergic receptor (ADRB1) and the Beta-2 adrenergic receptor (ADRB2). It is recorded as being released from or found in nine different sources. Within the category of healthcare, pharmaceuticals, and veterinary products, it is associated with ACE inhibitors and Beta blocking agents. It has also been identified in drinking water and water supply. Additional sources include electrical and electronic equipment, specifically electrically stimulated smoking devices, as well as various household cleaning and consumer products, such as perfumes within detergents and soaps, bleaching agents, cigar cigarettes, tobacco smoke filters, and other smoking requisites. The recorded route of exposure for this compound is oral. Human Neurotoxin C18H31NO4 325.443 325.225308485 1-[(propan-2-yl)amino]-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propan-2-ol 1-{4-[(2-isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)propan-2-ol 66722-44-9 CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1 InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3 VHYCDWMUTMEGQY-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzylethers Benzylethers 1,2-aminoalcohols Alkyl aryl ethers Dialkyl ethers Dialkylamines Hydrocarbon derivatives Organopnictogen compounds Phenol ethers Phenoxy compounds Secondary alcohols 1,2-aminoalcohol Alcohol Alkyl aryl ether Amine Aromatic homomonocyclic compound Benzylether Dialkyl ether Ether Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Secondary alcohol Secondary aliphatic amine Secondary amine Aromatic homomonocyclic compounds secondary alcohol secondary amine Detected and Not Quantified Bisoprolol Action Pathway SMP0000300 Bisoprolol Action Pathway (New) SMP0126186 Bisoprolol Drug Metabolism Action Pathway SMP0143060 logp 2.2 logp 2.30 ALOGPS logs -3.66 ALOGPS solubility 7.07e-02 g/l ALOGPS logp 2.2 ChemAxon pka_strongest_acidic 14.09 ChemAxon pka_strongest_basic 9.67 ChemAxon iupac 1-[(propan-2-yl)amino]-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propan-2-ol ChemAxon average_mass 325.443 ChemAxon mono_mass 325.225308485 ChemAxon smiles CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1 ChemAxon formula C18H31NO4 ChemAxon inchi InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3 ChemAxon inchikey VHYCDWMUTMEGQY-UHFFFAOYSA-N ChemAxon polar_surface_area 59.95 ChemAxon refractivity 92.15 ChemAxon polarizability 38.5 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7221b70f08> DB00612 2405 2312 BE0000172 BE0000694