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Etafenone

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

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Identification

Generic Name
Etafenone
DrugBank Accession Number
DB13845
Background

Etafenone is a vasodilator.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 325.452
Monoisotopic: 325.204179113
Chemical Formula
C21H27NO2
Synonyms
  • Etafenone
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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
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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
IloprostIloprost may increase the hypotensive activities of Etafenone.
Isosorbide mononitrateEtafenone may increase the vasodilatory activities of Isosorbide mononitrate.
Patent BlueThe therapeutic efficacy of Etafenone can be decreased when used in combination with Patent Blue.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Etafenone hydrochlorideNTS160XKGC2192-21-4BYWIEEUABBZFEE-UHFFFAOYSA-N

Categories

ATC Codes
C01DX07 — Etafenone
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Sub Class
Not Available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Alkyl-phenylketones / Butyrophenones / Phenoxy compounds / Phenol ethers / Benzoyl derivatives / Aryl alkyl ketones / Alkyl aryl ethers / Trialkylamines / Organopnictogen compounds / Organic oxides
show 1 more
Substituents
Alkyl aryl ether / Alkyl-phenylketone / Amine / Aromatic homomonocyclic compound / Aryl alkyl ketone / Aryl ketone / Benzenoid / Benzoyl / Butyrophenone / Ether
show 15 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
0I14K589E7
CAS number
90-54-0
InChI Key
OEGDFSLNGABBKJ-UHFFFAOYSA-N
InChI
InChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3
IUPAC Name
1-{2-[2-(diethylamino)ethoxy]phenyl}-3-phenylpropan-1-one
SMILES
CCN(CC)CCOC1=CC=CC=C1C(=O)CCC1=CC=CC=C1

References

General References
Not Available
KEGG Drug
D01440
ChemSpider
3160
ChEBI
135389
ChEMBL
CHEMBL1736151
ZINC
ZINC000000001376
Wikipedia
Etafenone

Clinical Trials

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Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Capsule
Pill
Solution / dropsOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0111 mg/mLALOGPS
logP3.9ALOGPS
logP4.38Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)16.33Chemaxon
pKa (Strongest Basic)8.53Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area29.54 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity99.76 m3·mol-1Chemaxon
Polarizability38.46 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udr-6923000000-2e8feb310dd15715eb2d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-5329000000-037f92a5c9b580656c7d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f89-9500000000-d8bd4780dcdc1c1a57fb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ab9-2950000000-24b095169bdf8ee35c9f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0knl-8900000000-8c336d0128ca2001179a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052b-1920000000-d4cb2ad4d8903dc8a4a1
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]-197.5406613
predicted
DarkChem Lite v0.1.0
[M-H]-176.46053
predicted
DeepCCS 1.0 (2019)
[M+H]+198.0890613
predicted
DarkChem Lite v0.1.0
[M+H]+178.81853
predicted
DeepCCS 1.0 (2019)
[M+Na]+198.0713613
predicted
DarkChem Lite v0.1.0
[M+Na]+184.91167
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:49 / Updated at February 21, 2021 18:54