1.0 2016-05-22 03:40:10 UTC 2026-05-14 16:50:28 UTC Dobutamine SmallMolecule Dobutamine is an organic compound with the chemical formula C18H23NO3 and an average molecular weight of 301.38 g/mol. Dobutamine belongs to the benzenediols, a subclass of phenols within the organic compounds. This compound is associated with seven recorded sources. These include healthcare, pharmaceuticals and veterinary products, specifically cardiac stimulants excluding cardiac glycosides. It is also found in household cleaning and consumer products, such as cigar cigarettes, non electric simulated smoking devices and other smoking requisites. Additionally, it is linked to electrical and electronic equipment, including antennas, television systems and electrically stimulated smoking devices. The recorded route of exposure for this substance is intravenous. Dobutamine interacts with six recorded protein targets. It acts as an agonist of the Beta-1 adrenergic receptor (ADRB1), the Beta-2 adrenergic receptor (ADRB2), the Alpha-1D adrenergic receptor (ADRA1D), and the Alpha-1A adrenergic receptor (ADRA1A), as well as two other proteins. C18H23NO3 301.3801 301.167793607 4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol dobutamine 34368-04-2 CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1 InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3 JRWZLRBJNMZMFE-UHFFFAOYSA-N Organic compounds Benzenoids Phenols Benzenediols Catecholamines and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Dialkylamines Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Phenethylamines 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Amine Aralkylamine Aromatic homomonocyclic compound Catecholamine Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenethylamine Secondary aliphatic amine Secondary amine Aromatic homomonocyclic compounds catecholamine secondary amine Detected and Not Quantified Dobutamine Action Pathway SMP0000662 Dobutamine Action Pathway (New) SMP0123129 Dobutamine Drug Metabolism Action Pathway SMP0143278 logp 2.62 logp 2.97 ALOGPS logs -4.34 ALOGPS solubility 1.37e-02 g/l ALOGPS logp 2.62 ChemAxon pka_strongest_acidic 10.14 ChemAxon pka_strongest_basic 9.27 ChemAxon iupac 4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol ChemAxon average_mass 301.3801 ChemAxon mono_mass 301.167793607 ChemAxon smiles CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1 ChemAxon formula C18H23NO3 ChemAxon inchi InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3 ChemAxon inchikey JRWZLRBJNMZMFE-UHFFFAOYSA-N ChemAxon polar_surface_area 72.72 ChemAxon refractivity 88.39 ChemAxon polarizability 34.44 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf09d0f20> DB00841 36811 33786 BE0000172 BE0000694 BE0000715 BE0000501 BE0000575 BE0000123