Dobutamine hydrochlorideProduct ingredient for Dobutamine

Show full entry for Dobutamine
Name
Dobutamine hydrochloride
Drug Entry
Dobutamine

A beta-1 agonist catecholamine that has cardiac stimulant action without evoking vasoconstriction or tachycardia. It is proposed as a cardiotonic after myocardial infarction or open heart surgery.

See full entry for Dobutamine
Accession Number
DBSALT000711
Structure
Similar Structures
Synonyms
Dobutamine HCl
UNII
0WR771DJXV
CAS Number
49745-95-1
Weight
Average: 337.841
Monoisotopic: 337.144471346
Chemical Formula
C18H24ClNO3
InChI Key
BQKADKWNRWCIJL-UHFFFAOYSA-N
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
IUPAC Name
4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol hydrochloride
SMILES
Cl.CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1
PubChem Compound
65324
ChemSpider
58808
ChEBI
4671
ChEMBL
CHEMBL1200418
Wikipedia
Dobutamine
Predicted Properties
PropertyValueSource
Water Solubility0.0137 mg/mLALOGPS
logP2.97ALOGPS
logP2.62Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)10.14Chemaxon
pKa (Strongest Basic)9.27Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area72.72 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity88.39 m3·mol-1Chemaxon
Polarizability33.82 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon