Molecular Identity
acebutolol
N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
PubChem CID: 1978
Acebutolol is an ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol. It has a role as a sympathomimetic agent, a beta-adrenergic antagonist, an antihypertensive agent and an anti-arrhythmia drug. It is a member of ethanolamines, an ether, a monocarboxylic acid amide, a propanolamine, a secondary amino compound and an aromatic amide. It is a conjugate base of an acebutolol(1+).
2D Structure
Properties
C18H28N2O4
Molecular Formula
336.40
Molecular Weight
g/mol
336.2049
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
87.7
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
400
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
acebutolol37517-30-9AcetobutololAcebutololoAcebutololum(+-)-Acebutolol5'-Butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenoneCHEBI:2379C07AB0467P356D8GHN-(3-acetyl-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butanamide3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilideDTXSID2048539N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]butanamideN-(3-Acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to acebutolol
Loading drug network...