DOBUTAMINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1978)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 0WR771DJXV
Parent Compound: DOBUTAMINE

Structure
InChI Key BQKADKWNRWCIJL-UHFFFAOYSA-N
Smile CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24ClNO3
Molecular Weight 337.85
AlogP 2.96
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Beta-1 adrenergic receptor agonist FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 106

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cardiovascular Diseases 1 D002318 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
37.55
Cardiac disorders
26.55
Investigations
10.05
Vascular disorders
9.33
Respiratory, thoracic and mediastinal disorders
3.76
Nervous system disorders
3.69

Cross References

Resources Reference
ChEBI 4671
ChEMBL CHEMBL1200418
FDA SRS 0WR771DJXV
Guide to Pharmacology 535
KEGG C06967
PubChem 65324
SureChEMBL SCHEMBL41609
ZINC ZINC00057278
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