Dopexamine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Dopexamine
Accession Number
DB12313
Type
Small Molecule
Groups
Approved, Investigational
Description

Dopexamine has been used in trials studying the diagnostic and treatment of Free Flap, Oral Cancer, Hypotension, Septic Shock, and Head and Neck Cancer.

Structure
Thumb
Synonyms
Not Available
External IDs
FPL 60278 / FPL-60278
Product Ingredients
IngredientUNIICASInChI Key
Dopexamine Hydrochloride0VN909S60Y86484-91-5VPDULUNRSQWWJB-UHFFFAOYSA-N
Categories
UNII
398E7Z7JB5
CAS number
86197-47-9
Weight
Average: 356.5017
Monoisotopic: 356.246378278
Chemical Formula
C22H32N2O2
InChI Key
RYBJORHCUPVNMB-UHFFFAOYSA-N
InChI
InChI=1S/C22H32N2O2/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2
IUPAC Name
4-[2-({6-[(2-phenylethyl)amino]hexyl}amino)ethyl]benzene-1,2-diol
SMILES
OC1=C(O)C=C(CCNCCCCCCNCCC2=CC=CC=C2)C=C1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AcebutololThe therapeutic efficacy of Dopexamine can be decreased when used in combination with Acebutolol.
AcepromazineThe therapeutic efficacy of Dopexamine can be decreased when used in combination with Acepromazine.
AlfuzosinThe therapeutic efficacy of Dopexamine can be decreased when used in combination with Alfuzosin.
AlprenololThe therapeutic efficacy of Dopexamine can be decreased when used in combination with Alprenolol.
AmineptineThe risk or severity of hypertension can be increased when Amineptine is combined with Dopexamine.
AmitriptylineThe risk or severity of hypertension can be increased when Amitriptyline is combined with Dopexamine.
AmitriptylinoxideThe risk or severity of hypertension can be increased when Amitriptylinoxide is combined with Dopexamine.
AmoxapineThe risk or severity of hypertension can be increased when Amoxapine is combined with Dopexamine.
AnisodamineThe therapeutic efficacy of Dopexamine can be decreased when used in combination with Anisodamine.
AripiprazoleThe therapeutic efficacy of Dopexamine can be decreased when used in combination with Aripiprazole.
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0041882
PubChem Compound
55483
PubChem Substance
347828578
ChemSpider
50102
ChEBI
135507
ChEMBL
CHEMBL77622
Wikipedia
Dopexamine
ATC Codes
C01CA14 — Dopexamine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentShock, Septic1
4CompletedDiagnosticArterial Hypotension / Free Flap / Head and Neck Carcinoma / Oral Cancers1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00243 mg/mLALOGPS
logP3.75ALOGPS
logP2.98ChemAxon
logS-5.2ALOGPS
pKa (Strongest Acidic)10.71ChemAxon
pKa (Strongest Basic)10.14ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area64.52 Å2ChemAxon
Rotatable Bond Count13ChemAxon
Refractivity108.83 m3·mol-1ChemAxon
Polarizability43.77 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenols
Sub Class
Benzenediols
Direct Parent
Catecholamines and derivatives
Alternative Parents
Phenethylamines / Aralkylamines / 1-hydroxy-4-unsubstituted benzenoids / 1-hydroxy-2-unsubstituted benzenoids / Dialkylamines / Organopnictogen compounds / Organooxygen compounds / Hydrocarbon derivatives
Substituents
Catecholamine / Phenethylamine / 1-hydroxy-4-unsubstituted benzenoid / 1-hydroxy-2-unsubstituted benzenoid / Aralkylamine / Monocyclic benzene moiety / Secondary aliphatic amine / Secondary amine / Organopnictogen compound / Organooxygen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:55 / Updated on November 02, 2018 09:04