NAV

Dopexamine

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

Identification

Generic Name
Dopexamine
DrugBank Accession Number
DB12313
Background

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

Type
Small Molecule
Groups
Approved, Investigational
Structure
3D
Similar Structures
Weight
Average: 356.5017
Monoisotopic: 356.246378278
Chemical Formula
C22H32N2O2
Synonyms
  • Dopexamine
External IDs
  • FPL 60278
  • FPL-60278
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
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interactions in your software
AcebutololThe therapeutic efficacy of Dopexamine can be decreased when used in combination with Acebutolol.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Dopexamine.
AcemetacinThe risk or severity of hypertension can be increased when Dopexamine is combined with Acemetacin.
AcetophenazineThe therapeutic efficacy of Dopexamine can be decreased when used in combination with Acetophenazine.
Acetylsalicylic acidThe risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Dopexamine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Dopexamine Hydrochloride0VN909S60Y86484-91-5VPDULUNRSQWWJB-UHFFFAOYSA-N

Categories

ATC Codes
C01CA14 — Dopexamine
Drug Categories
Chemical TaxonomyProvided by Classyfire
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
1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / Amine / Aralkylamine / Aromatic homomonocyclic compound / Catecholamine / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound / Organic oxygen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
398E7Z7JB5
CAS number
86197-47-9
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

References

General References
Not Available
Human Metabolome Database
HMDB0041882
PubChem Compound
55483
PubChem Substance
347828578
ChemSpider
50102
BindingDB
50239997
RxNav
23638
ChEBI
135507
ChEMBL
CHEMBL77622
ZINC
ZINC000003798745
Wikipedia
Dopexamine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedDiagnosticFree Flaps / Head And Neck Cancer / Hypotension / Oral Cancer1
2CompletedTreatmentSeptic Shock1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Injection, solutionIntravenous
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-MSsplash10-00lr-2940000000-f3c3c0c2d74b52c35f53
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0029000000-a021ced7caacc3cde328
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-c1a983e25b565ab8eed9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a6s-0498000000-5f79286baa147652e602
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0149000000-838636a50dec6dc62b5c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0079-1941000000-852020998b3374c906f2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0avu-2920000000-6b213db3d71c46c5b941
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-204.8218463
predicted
DarkChem Lite v0.1.0
[M-H]-199.7254463
predicted
DarkChem Lite v0.1.0
[M-H]-184.68178
predicted
DeepCCS 1.0 (2019)
[M+H]+204.2298463
predicted
DarkChem Lite v0.1.0
[M+H]+198.9209463
predicted
DarkChem Lite v0.1.0
[M+H]+187.03978
predicted
DeepCCS 1.0 (2019)
[M+Na]+204.1849463
predicted
DarkChem Lite v0.1.0
[M+Na]+198.5790463
predicted
DarkChem Lite v0.1.0
[M+Na]+193.2759
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:55 / Updated at February 21, 2021 18:53