phentolamine

Ligand id: 502

Name: phentolamine

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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 4
Topological polar surface area 47.86
Molecular weight 281.15
XLogP 3.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1952))
IUPAC Name
3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino]phenol
International Nonproprietary Names
INN number INN
22 phentolamine
Synonyms
dibasin | fentolamin | Regitine® | Rogitine®
Database Links
BindingDB Ligand 50008789
CAS Registry No. 50-60-2
ChEBI CHEBI:8081
ChEMBL Ligand CHEMBL597
DrugBank Ligand DB00692
PubChem CID 5775
Search Google for chemical match using the InChIKey MRBDMNSDAVCSSF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MRBDMNSDAVCSSF
Search PubMed clinical trials phentolamine
Search PubMed titles phentolamine
Search PubMed titles/abstracts phentolamine
Search UniChem for chemical match using the InChIKey MRBDMNSDAVCSSF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MRBDMNSDAVCSSF
Wikipedia Phentolamine
Comments
Phentolamine is a non-selective alpha-adrenergic receptor antagonist.