esmolol

Ligand id: 7178

Name: esmolol

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 67.79
Molecular weight 295.18
XLogP 2.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1986))
IUPAC Name
methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate
International Nonproprietary Names
INN number INN
5365 esmolol
Synonyms
Brevibloc® | SL-8052
Database Links
CAS Registry No. 81147-92-4
ChEMBL Ligand CHEMBL768
DrugBank Ligand DB00187
GtoPdb PubChem SID 178103753
PubChem CID 59768
Search Google for chemical match using the InChIKey AQNDDEOPVVGCPG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AQNDDEOPVVGCPG
Search PubMed clinical trials esmolol
Search PubMed titles esmolol
Search PubMed titles/abstracts esmolol
Search UniChem for chemical match using the InChIKey AQNDDEOPVVGCPG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AQNDDEOPVVGCPG
Wikipedia Esmolol
Comments
Esmolol is a β-blocker.
Marketed formulations may contain esmolol hydrochloride (PubChem CID 104769).