Isoetharine hydrochlorideProduct ingredient for Isoetharine

Show full entry for Isoetharine
Name
Isoetharine hydrochloride
Drug Entry
Isoetharine

Isoetharine is a relatively selective beta-2 adrenergic agonist. It is a catechol-like agent. Isoetharine is a fast-acting bronchodilator used for emphysema, bronchitis and asthma.1

See full entry for Isoetharine
Accession Number
DBSALT000349
Structure
Similar Structures
Synonyms
Isoetarine HCl / Isoetharine HCl / Isoetharine hydrochloride
UNII
51V8U784H3
CAS Number
2576-92-3
Weight
Average: 275.772
Monoisotopic: 275.128821282
Chemical Formula
C13H22ClNO3
InChI Key
MUFDLGGSOCHQOC-UHFFFAOYSA-N
InChI
InChI=1S/C13H21NO3.ClH/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;/h5-8,10,13-17H,4H2,1-3H3;1H
IUPAC Name
4-{1-hydroxy-2-[(propan-2-yl)amino]butyl}benzene-1,2-diol hydrochloride
SMILES
Cl.CCC(NC(C)C)C(O)C1=CC(O)=C(O)C=C1
PubChem Compound
5791
ChemSpider
5587
ChEBI
774871
ChEMBL
CHEMBL1200920
Wikipedia
Isoetarine
Predicted Properties
PropertyValueSource
Water Solubility3.18 mg/mLALOGPS
logP0.63ALOGPS
logP1.05Chemaxon
logS-1.9ALOGPS
pKa (Strongest Acidic)10.01Chemaxon
pKa (Strongest Basic)9.01Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area72.72 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity67.34 m3·mol-1Chemaxon
Polarizability26.52 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon