Diethyl ether

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

Identification

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Name
Diethyl ether
Accession Number
DB13598
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • Ether
External IDs
NSC-100036
Categories
UNII
0F5N573A2Y
CAS number
60-29-7
Weight
Average: 74.1216
Monoisotopic: 74.073164942
Chemical Formula
C4H10O
InChI Key
RTZKZFJDLAIYFH-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
IUPAC Name
ethoxyethane
SMILES
CCOCC

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidThe risk or severity of hypertension can be increased when 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid is combined with Diethyl ether.
1-benzylimidazoleThe risk or severity of hypertension can be increased when 1-benzylimidazole is combined with Diethyl ether.
2,5-Dimethoxy-4-ethylamphetamineThe risk or severity of hypertension can be increased when 2,5-Dimethoxy-4-ethylamphetamine is combined with Diethyl ether.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of adverse effects can be increased when Diethyl ether is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Diethyl ether.
4-MethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Methoxyamphetamine is combined with Diethyl ether.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of adverse effects can be increased when Diethyl ether is combined with 5-methoxy-N,N-dimethyltryptamine.
7-NitroindazoleThe risk or severity of adverse effects can be increased when 7-Nitroindazole is combined with Diethyl ether.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinolineThe risk or severity of adverse effects can be increased when 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline is combined with Diethyl ether.
AbediterolThe risk or severity of hypertension can be increased when Abediterol is combined with Diethyl ether.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

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Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0062326
KEGG Compound
C13240
ChemSpider
3168
ChEBI
35702
ChEMBL
CHEMBL16264
HET
ETZ
Wikipedia
Diethyl_ether
ATC Codes
N01AA01 — Diethyl ether
PDB Entries
4hp2

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Unknown StatusPreventionCerebral Hypoxia / Postoperative Delirium1
4Unknown StatusTreatmentPain on Propofol IV Injection1
Not AvailableCompletedPreventionSurgery, Cardiac1
Not AvailableNot Yet RecruitingSupportive CareFemale Breast Cancer1
Not AvailableNot Yet RecruitingSupportive CareNeoplasms, Brain1
Not AvailableRecruitingTreatmentAnaesthesia therapy / General Surgery / Pain NOS1

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 Solubility39.0 mg/mLALOGPS
logP1.12ALOGPS
logP0.84ChemAxon
logS-0.28ALOGPS
pKa (Strongest Basic)-4.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area9.23 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity22.51 m3·mol-1ChemAxon
Polarizability9.33 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - EI-BGC-MSsplash10-001i-9000000000-ff3ce446c6b7cd58b202
GC-MS Spectrum - EI-BGC-MSsplash10-003r-9000000000-539b7fc110138db40d75
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Mass Spectrum (Electron Ionization)MSsplash10-0560-9000000000-190d02146f42b3306a37
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
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable

Taxonomy

Description
This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Ethers
Direct Parent
Dialkyl ethers
Alternative Parents
Hydrocarbon derivatives
Substituents
Dialkyl ether / Hydrocarbon derivative / Aliphatic acyclic compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
ether (CHEBI:35702) / a small molecule (DIETHYLETHER)

Drug created on June 23, 2017 14:45 / Updated on September 02, 2019 20:03