phentolamine   Click here for help

GtoPdb Ligand ID: 502

Synonyms: dibasin | fentolamin | Regitine® | Rogitine®
Approved drug
phentolamine is an approved drug (FDA (1952))
Compound class: Synthetic organic
Comment: Phentolamine is a non-selective alpha-adrenergic receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 47.86
Molecular weight 281.15
XLogP 3.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1
Isomeric SMILES Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1
InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
InChI Key MRBDMNSDAVCSSF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1952))
IUPAC Name Click here for help
3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino]phenol
International Nonproprietary Names Click here for help
INN number INN
22 phentolamine
Synonyms Click here for help
dibasin | fentolamin | Regitine® | Rogitine®
Database Links Click here for help
BindingDB Ligand 50008789
CAS Registry No. 50-60-2
ChEBI CHEBI:8081
ChEMBL Ligand CHEMBL597
DrugBank Ligand DB00692
DrugCentral Ligand 2142
GtoPdb PubChem SID 135650818
PubChem CID 5775
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Wikipedia Phentolamine