PHENOXYBENZAMINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII X1IEG24OHL
EPA CompTox DTXSID0021127
Parent Compound: PHENOXYBENZAMINE

Structure

InChI Key VBCPVIWPDJVHAN-UHFFFAOYSA-N
Smiles CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl
InChI
InChI=1S/C18H22ClNO.ClH/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;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23Cl2NO
Molecular Weight 340.29
AlogP 4.19
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 12.47
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha antagonist ANTAGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 88.73-101.53
Unclassified protein
- - - - 73-100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 88.73-101.53
Escherichia coli
- - - - 73-100

Target Conservation

Protein: Adrenergic receptor alpha
Description: Alpha-2A adrenergic receptor
Organism : Homo sapiens
P08913 ENSG00000150594
Protein: Adrenergic receptor alpha
Description: Alpha-2B adrenergic receptor
Organism : Homo sapiens
P18089 ENSG00000274286
Protein: Adrenergic receptor alpha
Description: Alpha-2C adrenergic receptor
Organism : Homo sapiens
P18825 ENSG00000184160
Protein: Adrenergic receptor alpha
Description: Alpha-1D adrenergic receptor
Organism : Homo sapiens
P25100 ENSG00000171873
Protein: Adrenergic receptor alpha
Description: Alpha-1A adrenergic receptor
Organism : Homo sapiens
P35348 ENSG00000120907
Protein: Adrenergic receptor alpha
Description: Alpha-1B adrenergic receptor
Organism : Homo sapiens
P35368 ENSG00000170214

Cross References

Resources Reference
CAS NUMBER 63-92-3
ChEBI 8078
ChEMBL CHEMBL1200787
FDA SRS X1IEG24OHL
Guide to Pharmacology 7268
KEGG C07436
PubChem 6141
SureChEMBL SCHEMBL50729
CONTENTS