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Ethyl butyrate

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

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Identification

Generic Name
Ethyl butyrate
DrugBank Accession Number
DB15454
Background

Ethyl butyrate is under investigation in clinical trial NCT03202342 (fMRI of Hypothalamic Responses to Taste, Temperature and Glucose).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 116.1583
Monoisotopic: 116.083729628
Chemical Formula
C6H12O2
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
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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
UFD2LZ005D
CAS number
105-54-4
InChI Key
OBNCKNCVKJNDBV-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
IUPAC Name
ethyl butanoate
SMILES
CCCC(=O)OCC

References

General References
Not Available
Human Metabolome Database
HMDB0033889
ChemSpider
7475
RxNav
1314356
ChEBI
88764
ChEMBL
CHEMBL44800
ZINC
ZINC000000404390
Wikipedia
Ethyl_butyrate

Clinical Trials

Clinical Trials
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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 Solubility11.8 mg/mLALOGPS
logP1.8ALOGPS
logP1.42Chemaxon
logS-0.99ALOGPS
pKa (Strongest Basic)-7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area26.3 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity31.39 m3·mol-1Chemaxon
Polarizability13.24 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
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-006x-9000000000-681e8d0e7e97ea57bfbb
GC-MS Spectrum - EI-BGC-MSsplash10-00g3-9000000000-78bbe008aa184177c5ca
GC-MS Spectrum - EI-BGC-MSsplash10-00du-9000000000-5cfbe6fd33a8e1accffd
GC-MS Spectrum - EI-BGC-MSsplash10-00du-9000000000-c6cfb5c94d0be8f6153a
GC-MS Spectrum - EI-BGC-MSsplash10-0096-9000000000-8f2e75f476f548f5d68d
Mass Spectrum (Electron Ionization)MSsplash10-0096-9000000000-92f15d6d1e57255a3478
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:34 / Updated at May 06, 2022 19:46