Molecular Identity
Bisoprolol
1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
PubChem CID: 2405
Bisoprolol is a secondary amine and a secondary alcohol. It has a role as a beta-adrenergic antagonist, an antihypertensive agent, an anti-arrhythmia drug and a sympatholytic agent.
2D Structure
Properties
C18H31NO4
Molecular Formula
325.40
Molecular Weight
g/mol
325.2253
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
60
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
278
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)OIsomeric SMILES
SMILES: CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)OSynonyms(20)
BISOPROLOL66722-44-9BisoprololumBisocorBisoprololum [Latin]EMD 33 512Y41JS2NL6U(RS)-1-(4-(2-Isopropoxyethoxymethyl)phenoxy)-3-(isopropylamino)-2-propanol(+-)-1-((alpha-(2-Isopropoxyethoxy)-p-tolyl)oxy)-3-(isopropylamino)-2-propanolCL 297939CHEBI:3127DTXSID6022682Bisoprololum (Latin)[2-hydroxy-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propyl](propan-2-yl)amine2-Propanol, 1-(4-((2-(1-methylethoxy)ethoxy)methyl)phenoxy)-3-((1-methylethyl)amino)-, (+-)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bisoprolol
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