atenolol   

GtoPdb Ligand ID: 548

Synonyms: Myocord® | Normiten® | Tenormin®
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
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
SMILES / InChI / InChIKey
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)
InChI Key METKIMKYRPQLGS-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1981))
IUPAC Name
2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
International Nonproprietary Names
INN number INN
3801 atenolol
Synonyms
Myocord® | Normiten® | Tenormin®
Database Links
BindingDB Ligand 25753
CAS Registry No. 29122-68-7 (source: Scifinder)
ChEMBL Ligand CHEMBL24
DrugBank Ligand DB00335
DrugCentral Ligand 255
GtoPdb PubChem SID 135649971
PubChem CID 2249
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Wikipedia Atenolol

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Tocris
(RS)-Atenolol
Cat. No. 0387