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

Identification

Generic Name
Deoxyepinephrine
DrugBank Accession Number
DB13917
Background

Sympathomimetic, vasoconstrictor agent.

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 167.205
Monoisotopic: 167.094628665
Chemical Formula
C9H13NO2
Synonyms
  • 1-(3,4-dihydroxyphenyl)-2-methylaminoethane
  • 3,4-dihydroxy-N-methylphenethylamine
  • 4-(2-methylamino-ethyl)-benzene-1,2-diol
  • 4-(2-methylaminoethyl)pyrocatechol
  • Deoxyephinephrine
  • Desoxyepinephrine
  • Epinin
  • Epinine
  • Epyamine
  • N-methyl-3,4-dihydroxyphenethylamine
  • N-methyldopamine

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
AcebutololThe therapeutic efficacy of Acebutolol can be increased when used in combination with Deoxyepinephrine.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Deoxyepinephrine.
AcemetacinThe risk or severity of hypertension can be increased when Acemetacin is combined with Deoxyepinephrine.
AcetazolamideThe risk or severity of Cardiac Arrhythmia can be increased when Deoxyepinephrine is combined with Acetazolamide.
AcetyldigitoxinThe risk or severity of Cardiac Arrhythmia can be increased when Deoxyepinephrine is combined with Acetyldigitoxin.
Acetylsalicylic acidThe risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Deoxyepinephrine.
AcrivastineThe therapeutic efficacy of Deoxyepinephrine can be increased when used in combination with Acrivastine.
AlclofenacThe risk or severity of hypertension can be increased when Alclofenac is combined with Deoxyepinephrine.
AlfentanilThe risk or severity of hypertension can be increased when Alfentanil is combined with Deoxyepinephrine.
AlfuzosinAlfuzosin may decrease the hypertensive activities of Deoxyepinephrine.
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Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Deoxyepinephrine hydrochlorideZV3MG8PAX362-32-8JCDRZCWRRLKLTB-UHFFFAOYSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
R7339QLN1C
CAS number
501-15-5
InChI Key
NGKZFDYBISXGGS-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H3
IUPAC Name
4-[2-(methylamino)ethyl]benzene-1,2-diol
SMILES
CNCCC1=CC(O)=C(O)C=C1

References

General References
Not Available
Human Metabolome Database
HMDB0032020
KEGG Compound
C07453
ChemSpider
4229
BindingDB
81489
ChEBI
10554
ChEMBL
CHEMBL31088
ZINC
ZINC000001530781
Wikipedia
Deoxyepinephrine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility6.28 mg/mLALOGPS
logP0.03ALOGPS
logP0.32ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)9.27ChemAxon
pKa (Strongest Basic)10.29ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area52.49 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity48.02 m3·mol-1ChemAxon
Polarizability18.29 Å3ChemAxon
Number of Rings1ChemAxon
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
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-014i-0900000000-af3f6b2fb280237cf053
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-000i-1900000000-21c649b827452d6216d6
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0006-9600000000-d1e968124aaf320bcffc
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0006-9000000000-f1d18ccffad64909d3a7
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-00kf-9000000000-90d7d2c007015685d34e

Drug created at October 21, 2017 22:08 / Updated at June 12, 2020 16:53