NAV

Emepronium

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

Identification

Generic Name
Emepronium
DrugBank Accession Number
DB13505
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 282.45
Monoisotopic: 282.221626326
Chemical Formula
C20H28N
Synonyms
Not Available
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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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1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Emepronium.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Emepronium.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Emepronium.
AclidiniumThe risk or severity of adverse effects can be increased when Emepronium is combined with Aclidinium.
AdenosineThe risk or severity of Tachycardia can be increased when Adenosine is combined with Emepronium.
Food Interactions
Not Available

Categories

ATC Codes
A03CA30 — Emepronium and psycholepticsN05CX05 — Emepronium, combinationsG04BD01 — Emepronium
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylmethanes
Direct Parent
Diphenylmethanes
Alternative Parents
Aralkylamines / Tetraalkylammonium salts / Organopnictogen compounds / Organic salts / Hydrocarbon derivatives / Organic cations
Substituents
Amine / Aralkylamine / Aromatic homomonocyclic compound / Diphenylmethane / Hydrocarbon derivative / Organic cation / Organic nitrogen compound / Organic salt / Organonitrogen compound / Organopnictogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
04QQ8SWA4U
CAS number
27892-33-7
InChI Key
JEJBJBKVPOWOQK-UHFFFAOYSA-N
InChI
InChI=1S/C20H28N/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,5,16H2,1-4H3/q+1
IUPAC Name
(4,4-diphenylbutan-2-yl)(ethyl)dimethylazanium
SMILES
CC[N+](C)(C)C(C)CC(C1=CC=CC=C1)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
31386
RxNav
3816
ChEBI
135169
ChEMBL
CHEMBL2110805
Wikipedia
Emepronium_bromide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility6.8e-06 mg/mLALOGPS
logP0.15ALOGPS
logP0.68Chemaxon
logS-7.7ALOGPS
Physiological Charge1Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area0 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity103.68 m3·mol-1Chemaxon
Polarizability34.38 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-01b9-9660000000-9bdc3d1d655a10770e21
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]-169.48619
predicted
DeepCCS 1.0 (2019)
[M+H]+171.8442
predicted
DeepCCS 1.0 (2019)
[M+Na]+178.40738
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:43 / Updated at June 12, 2020 16:53