metoprolol

Ligand id: 553

Name: metoprolol

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 50.72
Molecular weight 267.18
XLogP 2.03
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1978))
IUPAC Name
1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
International Nonproprietary Names
INN number INN
3471 metoprolol
Synonyms
CGP-2175C | GP-2175E | H-93/26 | Lopressor® | Toprol®
Database Links
BindingDB Ligand 25756
CAS Registry No. 51384-51-1 (source: Scifinder)
ChEBI CHEBI:6904
ChEMBL Ligand CHEMBL13
DrugBank Ligand DB00264
PubChem CID 4171
Search Google for chemical match using the InChIKey IUBSYMUCCVWXPE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IUBSYMUCCVWXPE
Search PubMed clinical trials metoprolol
Search PubMed titles metoprolol
Search PubMed titles/abstracts metoprolol
Search UniChem for chemical match using the InChIKey IUBSYMUCCVWXPE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IUBSYMUCCVWXPE
Wikipedia Metoprolol
Comments
The approved drug metoprolol is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture. The two enantiomers are represented by PubChem entries CID 157717 and CID 157716.