This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Diethyl ether
- DrugBank Accession Number
- DB13598
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Diethyl ether (DB13598)
- Weight
- Average: 74.1216
Monoisotopic: 74.073164942 - Chemical Formula
- C4H10O
- Synonyms
- Ether
- External IDs
- NSC-100036
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
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 software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Diethyl ether. Acebutolol Diethyl ether may decrease the antihypertensive activities of Acebutolol. Aceclofenac The risk or severity of hypertension can be increased when Aceclofenac is combined with Diethyl ether. Acemetacin The risk or severity of hypertension can be increased when Diethyl ether is combined with Acemetacin. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Diethyl ether. - Food Interactions
- Not Available
Categories
- ATC Codes
- N01AA01 — Diethyl ether
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- 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
- Aliphatic acyclic compound / Dialkyl ether / Hydrocarbon derivative
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- ether (CHEBI:35702) / a small molecule (DIETHYLETHER)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 0F5N573A2Y
- CAS number
- 60-29-7
- InChI Key
- RTZKZFJDLAIYFH-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
- IUPAC Name
- ethoxyethane
- SMILES
- CCOCC
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0062326
- KEGG Compound
- C13240
- ChemSpider
- 3168
- 1363043
- ChEBI
- 35702
- ChEMBL
- CHEMBL16264
- ZINC
- ZINC000001657408
- PDBe Ligand
- ETZ
- Wikipedia
- Diethyl_ether
- PDB Entries
- 4hp2
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Unknown Status Prevention Cerebral Hypoxia / Postoperative Delirium (POD) 1 4 Unknown Status Treatment Pain on Propofol IV Injection 1 Not Available Completed Prevention Surgery, Cardiac 1 Not Available Unknown Status Supportive Care Brain Neoplasm 1 Not Available Withdrawn Supportive Care Female Breast Cancer 1
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
Property Value Source Water Solubility 39.0 mg/mL ALOGPS logP 1.12 ALOGPS logP 0.84 Chemaxon logS -0.28 ALOGPS pKa (Strongest Basic) -4.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 9.23 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 22.51 m3·mol-1 Chemaxon Polarizability 9.33 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes 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]- 105.9254407 predictedDarkChem Lite v0.1.0 [M-H]- 105.9367407 predictedDarkChem Lite v0.1.0 [M-H]- 105.9758407 predictedDarkChem Lite v0.1.0 [M-H]- 120.51241 predictedDeepCCS 1.0 (2019) [M+H]+ 107.0937407 predictedDarkChem Lite v0.1.0 [M+H]+ 107.0647407 predictedDarkChem Lite v0.1.0 [M+H]+ 106.9403407 predictedDarkChem Lite v0.1.0 [M+H]+ 122.40221 predictedDeepCCS 1.0 (2019) [M+Na]+ 106.4450407 predictedDarkChem Lite v0.1.0 [M+Na]+ 106.4154407 predictedDarkChem Lite v0.1.0 [M+Na]+ 106.3074407 predictedDarkChem Lite v0.1.0 [M+Na]+ 129.93033 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:45 / Updated at June 12, 2020 16:53