Molecular Identity
Propranolol
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID: 4946
Propranolol is a propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. It has a role as an anxiolytic drug, a beta-adrenergic antagonist, a vasodilator agent, an antihypertensive agent, a xenobiotic, an anti-arrhythmia drug, an environmental contaminant and a human blood serum metabolite. It is a member of naphthalenes, a secondary amine and a propanolamine. It is functionally related to a 1-naphthol.
2D Structure
Properties
C16H21NO2
Molecular Formula
259.34
Molecular Weight
g/mol
259.1572
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
41.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
257
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)OIsomeric SMILES
SMILES: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)OSynonyms(20)
propranolol525-66-6Propanololbeta-PropranololBetalongEuprovasinProprasylytReducorPropanalolAnaprilinepropranololodl-propranololPropranololum1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Propranolol
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