Acebutolol hydrochlorideProduct ingredient for Acebutolol

Name
Acebutolol hydrochloride
Drug Entry
Acebutolol

A cardioselective beta-adrenergic antagonist with little effect on the bronchial receptors. The drug has stabilizing and quinidine-like effects on cardiac rhythm as well as weak inherent sympathomimetic action.

Accession Number
DBSALT000192
Structure
Synonyms
Acebutolol HCl
UNII
B025Y34C54
CAS Number
34381-68-5
Weight
Average: 372.887
Monoisotopic: 372.181585133
Chemical Formula
C18H29ClN2O4
InChI Key
KTUFKADDDORSSI-UHFFFAOYSA-N
InChI
InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H
IUPAC Name
N-(3-acetyl-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butanamide hydrochloride
SMILES
Cl.CCCC(=O)NC1=CC=C(OCC(O)CNC(C)C)C(=C1)C(C)=O
KEGG Drug
D00597
KEGG Compound
C07677
PubChem Compound
36816
ChemSpider
33788
ChEBI
2380
ChEMBL
CHEMBL1200813
Wikipedia
Acebutolol
Predicted Properties
PropertyValueSource
Water Solubility0.172 mg/mLALOGPS
logP1.43ALOGPS
logP1.53Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)13.91Chemaxon
pKa (Strongest Basic)9.65Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area87.66 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity94.87 m3·mol-1Chemaxon
Polarizability38.4 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon