bisoprolol   Click here for help

GtoPdb Ligand ID: 7129

Synonyms: CL-297939 | EMD-33512 | Zebeta®
Approved drug
bisoprolol is an approved drug (FDA (1992))
Compound class: Synthetic organic
Comment: Bisoprolol is a β-blocker, selective for β1-adrenoceptors in cardiac tissue. The S(-) enantiomer is believed to account for most of its β-blocking activity.
Marketed formulations may contain bisoprolol fumarate (PubChem CID 6917733).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 59.95
Molecular weight 325.23
XLogP 2.16
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C
Isomeric SMILES OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C
InChI InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
InChI Key VHYCDWMUTMEGQY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1992))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
[2-hydroxy-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propyl](propan-2-yl)amine
International Nonproprietary Names Click here for help
INN number INN
5225 bisoprolol
Synonyms Click here for help
CL-297939 | EMD-33512 | Zebeta®
Database Links Click here for help
CAS Registry No. 66722-44-9
ChEMBL Ligand CHEMBL645
DrugBank Ligand DB00612
DrugCentral Ligand 380
GtoPdb PubChem SID 178103705
PubChem CID 2405
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Wikipedia Bisoprolol