ACEBUTOLOL HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1984)
Entry Type: Small molecule
Molecule Category: Salt
UNII: B025Y34C54
Parent Compound: ACEBUTOLOL

Structure
InChI Key KTUFKADDDORSSI-UHFFFAOYSA-N
Smile CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1.Cl
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H29ClN2O4
Molecular Weight 372.89
AlogP 2.37
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 87.66
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Beta-1 adrenergic receptor antagonist DailyMed
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
- - - - 74

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
21.79
Cardiac disorders
16.43
Vascular disorders
7.86
Nervous system disorders
7.5
Injury, poisoning and procedural complications
6.79
Respiratory, thoracic and mediastinal disorders
6.79
Immune system disorders
5.71
Gastrointestinal disorders
5.0
Skin and subcutaneous tissue disorders
5.0
Psychiatric disorders
3.21
Product issues
2.86
Musculoskeletal and connective tissue disorders
2.5
Investigations
2.14
Metabolism and nutrition disorders
2.14

Cross References

Resources Reference
ChEBI 2380
ChEMBL CHEMBL1200813
EPA CompTox DTXSID5045461
FDA SRS B025Y34C54
Guide to Pharmacology 7107
KEGG C07677
PubChem 36816
SureChEMBL SCHEMBL41004
ZINC ZINC00968255
CONTENTS