CHEBI:4671 - dobutamine hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dobutamine hydrochloride
ChEBI ID CHEBI:4671
Definition The hydrochloride salt of dobutamine. A β1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used to increase the contractility of the heart in the management of acute heart failure.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C18H24ClNO3
Net Charge 0
Average Mass 337.84100
Monoisotopic Mass 337.14447
InChI InChI=1S/C18H23NO3.ClH/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;1H
InChIKey BQKADKWNRWCIJL-UHFFFAOYSA-N
SMILES [Cl-].CC(CCc1ccc(O)cc1)[NH2+]CCc1ccc(O)c(O)c1
Roles Classification
Biological Role(s): sympathomimetic agent
A drug that mimics the effects of stimulating postganglionic adrenergic sympathetic nerves. Included in this class are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
beta-adrenergic agonist
An agent that selectively binds to and activates beta-adrenergic receptors.
Application(s): cardiotonic drug
A drug that has a strengthening effect on the heart or that can increase cardiac output.
sympathomimetic agent
A drug that mimics the effects of stimulating postganglionic adrenergic sympathetic nerves. Included in this class are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
beta-adrenergic agonist
An agent that selectively binds to and activates beta-adrenergic receptors.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dobutamine hydrochloride (CHEBI:4671) has part dobutamine (CHEBI:4670)
dobutamine hydrochloride (CHEBI:4671) has role β-adrenergic agonist (CHEBI:35522)
dobutamine hydrochloride (CHEBI:4671) has role cardiotonic drug (CHEBI:38147)
dobutamine hydrochloride (CHEBI:4671) has role sympathomimetic agent (CHEBI:35524)
dobutamine hydrochloride (CHEBI:4671) is a hydrochloride (CHEBI:36807)
IUPAC Name
N-[2-(3,4-dihydroxyphenyl)ethyl]-4-(4-hydroxyphenyl)butan-2-aminium chloride
Synonyms Sources
(±)-4-(2-((3-(p-hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol hydrochloride ChemIDplus
4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol hydrochloride IUPAC
DL-dobutamine hydrochloride ChemIDplus
dobutamine HCl ChemIDplus
Manual Xrefs Databases
D00632 KEGG DRUG
DB00841 DrugBank
View more database links
Registry Numbers Types Sources
49745-95-1 CAS Registry Number KEGG DRUG
49745-95-1 CAS Registry Number ChemIDplus
6023420 Beilstein Registry Number Beilstein
Last Modified
20 July 2010