atenolol   Click here for help

GtoPdb Ligand ID: 548

Synonyms: Myocord® | Normiten® | Tenormin®
Approved drug
atenolol is an approved drug (FDA (1981))
Compound class: Synthetic organic
Comment: Atenolol is a selective β1-adrenoceptor antagonist (β blocker), developed as a replacement for propranolol.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 84.58
Molecular weight 266.16
XLogP 0.46
No. Lipinski's rules broken 0
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Canonical SMILES OC(COc1ccc(cc1)CC(=O)N)CNC(C)C
Isomeric SMILES OC(COc1ccc(cc1)CC(=O)N)CNC(C)C
InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1981))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
3801 atenolol
Synonyms Click here for help
Myocord® | Normiten® | Tenormin®
Database Links Click here for help
Specialist databases
GPCRdb Ligand atenolol
Reactome Drug Reactome logo R-ALL-9610989
Reactome Reaction Reactome logo R-HSA-9609310
Other databases
BindingDB Ligand 25753
CAS Registry No. 29122-68-7 (source: Scifinder)
DrugBank Ligand DB00335
DrugCentral Ligand 255
GtoPdb PubChem SID 135649971
PubChem CID 2249
Search Google for chemical match using the InChIKey METKIMKYRPQLGS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone METKIMKYRPQLGS
Search PubMed clinical trials atenolol
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Search PubMed titles/abstracts atenolol
UniChem Compound Search for chemical match using the InChIKey METKIMKYRPQLGS-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey METKIMKYRPQLGS-UHFFFAOYSA-N
Wikipedia Atenolol

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(RS)-Atenolol (links to external site)
Cat. No. 0387