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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View more information in the IUPHAR Pharmacology Education Project: phenoxybenzamine

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
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InChI standard identifier Download
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Molecular structure representations generated using Open Babel