1.0 2016-05-25 18:28:48 UTC 2026-08-21 22:19:20 UTC Nebivolol SmallMolecule Nebivolol is an organic compound with the chemical formula C22H25F2NO4 and an average molecular weight of 405.44 g/mol. Nebivolol belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. It is categorized under the superclass of organoheterocyclic compounds. This compound has been identified in five recorded sources, including household cleaning and consumer products such as non electric simulated smoking devices, as well as healthcare, pharmaceuticals and veterinary products including lipid modifying agents, ACE inhibitors, Beta blocking agents, and Angiotensin ii receptor blockers (arbs). The recorded route of exposure for this substance is oral. In terms of biological activity, nebivolol interacts with three recorded protein targets, acting as an agonist or antagonist of the Beta-1 adrenergic receptor (ADRB1), Beta-2 adrenergic receptor (ADRB2), and Beta-3 adrenergic receptor (ADRB3). C22H25F2NO4 405.435 405.175164703 1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-{[2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl]amino}ethan-1-ol nebivolol 99200-09-6 OC(CNCC(O)C1CCC2=C(O1)C=CC(F)=C2)C1CCC2=C(O1)C=CC(F)=C2 InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2 KOHIRBRYDXPAMZ-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans 1-benzopyrans 1,2-aminoalcohols Alkyl aryl ethers Aralkylamines Aryl fluorides Benzenoids Dialkylamines Hydrocarbon derivatives Organofluorides Organopnictogen compounds Oxacyclic compounds Secondary alcohols 1,2-aminoalcohol 1-benzopyran Alcohol Alkyl aryl ether Amine Aralkylamine Aromatic heteropolycyclic compound Aryl fluoride Aryl halide Benzenoid Ether Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Secondary alcohol Secondary aliphatic amine Secondary amine Aromatic heteropolycyclic compounds chromanes diol organofluorine compound secondary alcohol secondary amino compound Detected and Not Quantified Nebivolol Action Pathway SMP0000366 Nebivolol Action Pathway (New) SMP0126215 Nebivolol Drug Metabolism Action Pathway SMP0143932 Nebivolol Predicted Metabolism Pathway SMP0174667 logp 3.21 logp 2.44 ALOGPS logs -4.00 ALOGPS solubility 4.03e-02 g/l ALOGPS logp 3.21 ChemAxon pka_strongest_acidic 13.52 ChemAxon pka_strongest_basic 8.9 ChemAxon iupac 1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-{[2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl]amino}ethan-1-ol ChemAxon average_mass 405.435 ChemAxon mono_mass 405.175164703 ChemAxon smiles OC(CNCC(O)C1CCC2=C(O1)C=CC(F)=C2)C1CCC2=C(O1)C=CC(F)=C2 ChemAxon formula C22H25F2NO4 ChemAxon inchi InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2 ChemAxon inchikey KOHIRBRYDXPAMZ-UHFFFAOYSA-N ChemAxon polar_surface_area 70.95 ChemAxon refractivity 103.32 ChemAxon polarizability 41.98 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72a8cc6600> DB04861 71301 64421 BE0000172 BE0000694 BE0001012