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®
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.
Database Links
BindingDB Ligand 25756
CAS Registry No. 51384-51-1 (source: Scifinder)
ChEBI CHEBI:6904
ChEMBL Ligand CHEMBL13
DrugBank Ligand DB00264
GtoPdb PubChem SID 135650599
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