Efloxate

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

Identification

Generic Name
Efloxate
DrugBank Accession Number
DB13333
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 324.332
Monoisotopic: 324.099773615
Chemical Formula
C19H16O5
Synonyms
  • Efloxate

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

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

Products

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Categories

ATC Codes
C01DX13 — Efloxate
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Flavonoids
Sub Class
Flavones
Direct Parent
Flavones
Alternative Parents
Phenoxyacetic acid derivatives / Chromones / Pyranones and derivatives / Alkyl aryl ethers / Heteroaromatic compounds / Carboxylic acid esters / Oxacyclic compounds / Monocarboxylic acids and derivatives / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
1-benzopyran / Alkyl aryl ether / Aromatic heteropolycyclic compound / Benzenoid / Benzopyran / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Chromone / Ether
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
CZU6V3902K
CAS number
119-41-5
InChI Key
ZVXBAHLOGZCFTP-UHFFFAOYSA-N
InChI
InChI=1S/C19H16O5/c1-2-22-19(21)12-23-14-8-9-15-16(20)11-17(24-18(15)10-14)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
IUPAC Name
ethyl 2-[(4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate
SMILES
CCOC(=O)COC1=CC2=C(C=C1)C(=O)C=C(O2)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
8089
RxNav
23852
ChEBI
31531
ChEMBL
CHEMBL1349073
ZINC
ZINC000000001342
Wikipedia
Efloxate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00781 mg/mLALOGPS
logP3.55ALOGPS
logP2.79Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)15.8Chemaxon
pKa (Strongest Basic)-4.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area61.83 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity89.04 m3·mol-1Chemaxon
Polarizability34.27 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-004i-1039000000-5a04ed9dc7d71ce99a27
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-9000000000-8ee7c0aea47645447636
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0adr-6190000000-1f573622baea631f5436
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0093000000-089c5ea1765d9576c372
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f9i-0190000000-f3281762d6b057647249
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0zg0-1940000000-ca0640c7e93bb1e59701
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]-190.3098046
predicted
DarkChem Lite v0.1.0
[M-H]-176.48091
predicted
DeepCCS 1.0 (2019)
[M+H]+190.6089046
predicted
DarkChem Lite v0.1.0
[M+H]+178.87859
predicted
DeepCCS 1.0 (2019)
[M+Na]+190.3937046
predicted
DarkChem Lite v0.1.0
[M+Na]+186.93167
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54