dobutamine (CHEBI:4670)

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CHEBI:4670 - dobutamine

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ChEBI ID	CHEBI:4670
ChEBI Name	dobutamine
Stars
Definition	A catecholamine that is 4-(3-aminobutyl)phenol in which one of the hydrogens attached to the nitrogen is substituted by a 2-(3,4-dihydroxyphenyl)ethyl group. A β₁-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used as the hydrochloride to increase the contractility of the heart in the management of acute heart failure.
Secondary ChEBI IDs	CHEBI:184505, CHEBI:554519
Last Modified	22 February 2017
Downloads	Molfile

Formula	C18H23NO3
Net Charge	0
Average Mass	301.386
Monoisotopic Mass	301.16779
SMILES	CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
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
InChIKey	JRWZLRBJNMZMFE-UHFFFAOYSA-N

Wikipedia

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	beta-adrenergic agonist An agent that selectively binds to and activates β-adrenergic receptors. 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. molecular messenger
Applications:	beta-adrenergic agonist An agent that selectively binds to and activates β-adrenergic receptors. 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. cardiotonic drug A drug that has a strengthening effect on the heart or that can increase cardiac output.

ChEBI Ontology

Outgoing Relation(s)
	dobutamine (CHEBI:4670) has role cardiotonic drug (CHEBI:38147)
	dobutamine (CHEBI:4670) has role sympathomimetic agent (CHEBI:35524)
	dobutamine (CHEBI:4670) has role β-adrenergic agonist (CHEBI:35522)
	dobutamine (CHEBI:4670) is a catecholamine (CHEBI:33567)
	dobutamine (CHEBI:4670) is a secondary amine (CHEBI:32863)
Incoming Relation(s)
	dobutamine hydrochloride (CHEBI:4671) has part dobutamine (CHEBI:4670)
	(R)-dobutamine (CHEBI:59804) is a dobutamine (CHEBI:4670)
	(S)-dobutamine (CHEBI:59805) is a dobutamine (CHEBI:4670)

IUPAC Name
4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol

INNs	Source
dobutamina	ChemIDplus
dobutamine	ChemIDplus
dobutamine	WHO MedNet
dobutaminum	ChemIDplus

Synonyms	Source
3,4-dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-β-phenylethylamine	ChEBI
4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol	ChEMBL
(±)-4-(2-((3-(p-hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol	ChemIDplus
Dobutamine	KEGG COMPOUND
DOBUTAMINE	ChEMBL
rac-dobutamine	ChEBI

Manual Xrefs	Databases
937	DrugCentral
C06967	KEGG COMPOUND
D03879	KEGG DRUG
DB00841	DrugBank
DE2317710	Patent
Dobutamine	Wikipedia
HMDB0014979	HMDB
LSM-1807	LINCS
US3987200	Patent

Registry Numbers	Sources
Reaxys:2946389	Reaxys
CAS:34368-04-2	ChemIDplus
CAS:34368-04-2	KEGG COMPOUND

Citations