NAV

Emetonium iodide

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

Identification

Generic Name
Emetonium iodide
DrugBank Accession Number
DB13769
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 425.354
Monoisotopic: 425.12156
Chemical Formula
C20H28INO
Synonyms
  • (2-benzhydryloxyethyl)diethyl-methylammonium iodide
  • Ethylbenzhydramine methyl iodide
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
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AclidiniumThe risk or severity of adverse effects can be increased when Emetonium iodide is combined with Aclidinium.
AdenosineThe risk or severity of Tachycardia can be increased when Adenosine is combined with Emetonium iodide.
AlfentanilThe risk or severity of adverse effects can be increased when Emetonium iodide is combined with Alfentanil.
AlloinThe therapeutic efficacy of Alloin can be decreased when used in combination with Emetonium iodide.
AmantadineThe risk or severity of adverse effects can be increased when Amantadine is combined with Emetonium iodide.
Food Interactions
Not Available

Products

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International/Other Brands
Esyntin / Metropin

Categories

ATC Codes
A03AB16 — (2-benzhydryloxyethyl)diethyl-methylammonium iodide
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
Benzylethers / Tetraalkylammonium salts / Dialkyl ethers / Organopnictogen compounds / Organic iodide salts / Hydrocarbon derivatives / Amines
Substituents
Amine / Aromatic homomonocyclic compound / Benzylether / Dialkyl ether / Diphenylmethane / Ether / Hydrocarbon derivative / Organic iodide salt / Organic nitrogen compound / Organic oxygen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
CW3OT0Y51W
CAS number
5982-52-5
InChI Key
HKOZYKMXXBHEHT-UHFFFAOYSA-M
InChI
InChI=1S/C20H28NO.HI/c1-4-21(3,5-2)16-17-22-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
IUPAC Name
[2-(diphenylmethoxy)ethyl]diethylmethylazanium iodide
SMILES
[I-].CC[N+](C)(CC)CCOC(C1=CC=CC=C1)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
72334
ChEMBL
CHEMBL3707204

Clinical Trials

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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 Solubility2.63e-05 mg/mLALOGPS
logP0.41ALOGPS
logP0.2Chemaxon
logS-7.2ALOGPS
pKa (Strongest Basic)-4.3Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area9.23 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity105.34 m3·mol-1Chemaxon
Polarizability35.9 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-MSsplash10-014l-1980000000-e6df81d86a73cd34072a
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-171.92406
predicted
DeepCCS 1.0 (2019)
[M+H]+174.28206
predicted
DeepCCS 1.0 (2019)
[M+Na]+181.52812
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:48 / Updated at June 12, 2020 16:53