phenoxybenzamine   Click here for help

GtoPdb Ligand ID: 7268

Synonyms: Dibenzyline® | phenoxybenzamine hydrochloride
Approved drug
phenoxybenzamine is an approved drug (FDA (1953))
Compound class: Synthetic organic
Comment: Phenoxybenzamine is a non-selective, irreversible alpha blocker (α-adrenoceptor antagonist).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 12.47
Molecular weight 303.14
XLogP 4.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ClCCN(C(COc1ccccc1)C)Cc1ccccc1
Isomeric SMILES ClCCN(C(COc1ccccc1)C)Cc1ccccc1
InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
InChI Key QZVCTJOXCFMACW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1953))
IUPAC Name Click here for help
benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine
International Nonproprietary Names Click here for help
INN number INN
608 phenoxybenzamine
Synonyms Click here for help
Dibenzyline® | phenoxybenzamine hydrochloride
Database Links Click here for help
CAS Registry No. 59-96-1
ChEMBL Ligand CHEMBL753
DrugBank Ligand DB00925
DrugCentral Ligand 2136
GtoPdb PubChem SID 178103842
PubChem CID 4768
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Wikipedia Phenoxybenzamine