NAV

Tetraglyme

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

Identification

Generic Name
Tetraglyme
DrugBank Accession Number
DB14000
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 222.281
Monoisotopic: 222.146723808
Chemical Formula
C10H22O5
Synonyms
  • bis[2-(2-methoxyethoxy)ethyl] ether
  • dimethoxytetraethylene glycol
  • Glyme 5
  • TEGDME
  • tetraethylene glycol dimethyl ether
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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

LD50 Oral – rat – 5,140 mg/kg

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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
78L136FLZ9
CAS number
143-24-8
InChI Key
ZUHZGEOKBKGPSW-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3
IUPAC Name
2,5,8,11,14-pentaoxapentadecane
SMILES
COCCOCCOCCOCCOC

References

General References
Not Available
ChemSpider
13835433
ChEBI
46785
ChEMBL
CHEMBL3182543
ZINC
ZINC000001692489
Wikipedia
Tetraethylene_glycol_dimethyl_ether
MSDS
Download (134 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.88 mg/mLALOGPS
logP-0.12ALOGPS
logP-0.063Chemaxon
logS-1.8ALOGPS
pKa (Strongest Basic)-3.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area46.15 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity57.19 m3·mol-1Chemaxon
Polarizability26.18 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
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/MSsplash10-102a-7900000000-b5f27aea9da5fef56b86
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0r09-9800000000-cbbd9f5d9ef7a7073480
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4s-9100000000-5dc2f1837b769a709383
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-08fu-9200000000-4fbe2e63cbc91255717b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aba-9100000000-5a29fcdfd14102f8ea26
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0bt9-9200000000-256c766743e45671df5e
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]-163.4008268
predicted
DarkChem Lite v0.1.0
[M-H]-163.3579268
predicted
DarkChem Lite v0.1.0
[M-H]-164.1749268
predicted
DarkChem Lite v0.1.0
[M-H]-145.30206
predicted
DeepCCS 1.0 (2019)
[M+H]+163.8790268
predicted
DarkChem Lite v0.1.0
[M+H]+163.4629268
predicted
DarkChem Lite v0.1.0
[M+H]+163.3425268
predicted
DarkChem Lite v0.1.0
[M+H]+149.10555
predicted
DeepCCS 1.0 (2019)
[M+Na]+163.5689268
predicted
DarkChem Lite v0.1.0
[M+Na]+163.9490268
predicted
DarkChem Lite v0.1.0
[M+Na]+158.29451
predicted
DeepCCS 1.0 (2019)

Drug created at March 23, 2018 18:06 / Updated at January 08, 2021 01:07