Dobutamine

HCID 36811CAS 34368-04-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
InChIKey
JRWZLRBJNMZMFE-UHFFFAOYSA-N
Molecular formula
C18H23NO3
Average molar mass
301.4 g/mol
Monoisotopic mass
301.1677936

Names & identifiers

Preferred name
Dobutamine
IUPAC
4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol
English name
Dobutamine
Molecular formula
C18H23NO3
Molecular weight
301.38

Names & synonyms

dobutamine34368-04-2DL-dobutamineDobutaminaracemic-DobutamineRacemic dobutamineDobutaminumrac-dobutamineCompound 81929DTXSID30229584-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol
Show more names
DOBUTAMINE HCLobutamineDOBUTAMINE USP/EP/BPDOBUTAMINE HYDROCHLORIDE USPRacemic dobutamine hydrochloride monomer
COMPOUND-81929(+-)-4-(2-((3-(p-Hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatecholCHEBI:4670DTXCID7029583S12J473723,4-dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-beta-phenylethylamine4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol1,2-Benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-, (+-)-

Database identifiers

CAS
34368-04-2
PubChem CID
36811
DTXSID
DTXSID3022958
ChEMBL
CHEMBL926
ChEBI
CHEBI:4670
UNII
3S12J47372
EC Number
112-679-1
Nikkaji
J29.869G、J399.069I

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
72.7 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
22

Physicochemical properties

Boiling point
527.7 · 527.7±50.0 °C(Predicted)
Density
1.189 · 1.189±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
9.65 · 9.65±0.10(Predicted)
FDA UNII
3 S12J47372 · 3S12J47372
NCI Drug Dictionary
dobutamine

Safety & regulation

Safety data

wgk
3
risk_code
20/21/22-63
hazard_code
Xn
safety_code
22-26-36/37/39

Chemistry & industry

Applications · 2 items

UsesCardiotonic.

UsesDobutamine is predominantly a β1-agonist, with some activity at β2- receptors. Its primary effect is an increase in cardiac output as a consequence of increased contractility and HR and decreased afterload. Systolic arterial pressure may therefore increase, but peripheral resistance is reduced or unchanged. It is primarily used as an inotrope (inodilator) in low CO states. D obutamine increases SA node automaticity and conduction velocity in the atria, ventricles and AV node, with tachyarrhythmias occurring at higher doses. Dobutamine is administered as an i.v. infusion at a dose range of 0.5– 40 μg kg–1 min–1.

Upstream & downstream products

Suppliers30 total

北京华美互利生物化工010-56205725 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Syntechem Co.,Ltd[email protected]
United Life Science020-82099279 18988941402 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 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 beta1-adrenergic receptor agonist that has cardiac stimulan 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.

Related reactions

2 records
New reaction record

Linked notes

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