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
Structure for Deoxyepinephrine (DB13917)
- 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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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcebutolol The therapeutic efficacy of Acebutolol can be increased when used in combination with Deoxyepinephrine. Aceclofenac The risk or severity of hypertension can be increased when Aceclofenac is combined with Deoxyepinephrine. Acemetacin The risk or severity of hypertension can be increased when Acemetacin is combined with Deoxyepinephrine. Acetazolamide The risk or severity of Cardiac Arrhythmia can be increased when Deoxyepinephrine is combined with Acetazolamide. Acetyldigitoxin The risk or severity of Cardiac Arrhythmia can be increased when Deoxyepinephrine is combined with Acetyldigitoxin. - Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Deoxyepinephrine hydrochloride ZV3MG8PAX3 62-32-8 JCDRZCWRRLKLTB-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
- External Links
- Human Metabolome Database
- HMDB0032020
- KEGG Compound
- C07453
- ChemSpider
- 4229
- BindingDB
- 81489
- ChEBI
- 10554
- ChEMBL
- CHEMBL31088
- ZINC
- ZINC000001530781
- Wikipedia
- Deoxyepinephrine
Clinical Trials
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
Property Value Source Water Solubility 6.28 mg/mL ALOGPS logP 0.03 ALOGPS logP 0.32 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 9.27 Chemaxon pKa (Strongest Basic) 10.29 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 52.49 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 48.02 m3·mol-1 Chemaxon Polarizability 18.29 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 142.4031449 predictedDarkChem Lite v0.1.0 [M-H]- 141.7040449 predictedDarkChem Lite v0.1.0 [M-H]- 142.2003449 predictedDarkChem Lite v0.1.0 [M-H]- 142.6821449 predictedDarkChem Lite v0.1.0 [M-H]- 134.51573 predictedDeepCCS 1.0 (2019) [M+H]+ 143.2770449 predictedDarkChem Lite v0.1.0 [M+H]+ 143.5137449 predictedDarkChem Lite v0.1.0 [M+H]+ 143.2123449 predictedDarkChem Lite v0.1.0 [M+H]+ 143.2403449 predictedDarkChem Lite v0.1.0 [M+H]+ 138.34557 predictedDeepCCS 1.0 (2019) [M+Na]+ 142.7288449 predictedDarkChem Lite v0.1.0 [M+Na]+ 142.1788449 predictedDarkChem Lite v0.1.0 [M+Na]+ 142.2933449 predictedDarkChem Lite v0.1.0 [M+Na]+ 142.3873449 predictedDarkChem Lite v0.1.0 [M+Na]+ 147.72618 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2017 22:08 / Updated at June 12, 2020 16:53