Isoprenaline hydrochlorideProduct ingredient for Isoprenaline

Name
Isoprenaline hydrochloride
Drug Entry
Isoprenaline

Isopropyl analog of epinephrine; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant.

Accession Number
DBSALT000429
Structure
Thumb
Synonyms
Isoprenaline HCl / isoproterenol hydrochloride
UNII
DIA2A74855
CAS Number
51-30-9
Weight
Average: 247.719
Monoisotopic: 247.097521154
Chemical Formula
C11H18ClNO3
InChI Key
IROWCYIEJAOFOW-UHFFFAOYSA-N
InChI
InChI=1S/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H
IUPAC Name
4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol hydrochloride
SMILES
Cl.CC(C)NCC(O)C1=CC(O)=C(O)C=C1
External Links
PubChem Compound
5807
ChemSpider
5602
ChEBI
31453
ChEMBL
CHEMBL1711
Wikipedia
Isoprenaline
Predicted Properties
PropertyValueSource
Water Solubility5.86 mg/mLALOGPS
logP-0.27ALOGPS
logP0.24ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)9.81ChemAxon
pKa (Strongest Basic)8.96ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area72.72 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity58.4 m3·mol-1ChemAxon
Polarizability22.65 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon