PHENOXYBENZAMINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1953)
Entry Type: Small molecule
Molecule Category: Salt
UNII: X1IEG24OHL
Parent Compound: PHENOXYBENZAMINE

Structure
InChI Key VBCPVIWPDJVHAN-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 12.47
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adrenergic receptor alpha antagonist DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other cytosolic protein
- 78000 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 102
Unclassified protein
- 40000 - - 73-100

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Cardiac disorders
14.29
Psychiatric disorders
14.29
General disorders and administration site conditions
10.71
Investigations
10.71
Vascular disorders
10.71
Injury, poisoning and procedural complications
7.14
Skin and subcutaneous tissue disorders
7.14
Surgical and medical procedures
7.14
Product issues
7.14
Gastrointestinal disorders
3.57
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
3.57
Nervous system disorders
3.57

Cross References

Resources Reference
ChEBI 8078
ChEMBL CHEMBL1200787
EPA CompTox DTXSID0021127
FDA SRS X1IEG24OHL
Guide to Pharmacology 7268
KEGG C07436
PubChem 6141
SureChEMBL SCHEMBL50729
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