NAV

Etofibrate

Identification

Generic Name
Etofibrate
DrugBank Accession Number
DB08983
Background

Etofibrate is a fibrate produced by the combination of clofibrate ester linked to niacin. These components separate in the body slowly allowing for pharmacokinetics similar to controlled-release formulations.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 363.792
Monoisotopic: 363.087350398
Chemical Formula
C18H18ClNO5
Synonyms
  • Etofibrate
  • Etofibrato
  • Etofibratum
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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

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
Integrate drug-drug
interactions in your software
AcenocoumarolThe risk or severity of bleeding can be increased when Etofibrate is combined with Acenocoumarol.
AcetohexamideThe risk or severity of hypoglycemia can be increased when Etofibrate is combined with Acetohexamide.
AcipimoxThe risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Etofibrate is combined with Acipimox.
Alendronic acidThe risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Alendronic acid is combined with Etofibrate.
AmiodaroneThe risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Amiodarone is combined with Etofibrate.
Food Interactions
Not Available

Products

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Categories

ATC Codes
C10AB09 — Etofibrate
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenoxyacetic acid derivatives
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Pyridinecarboxylic acids / Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Chlorobenzenes / Aryl chlorides / Dicarboxylic acids and derivatives / Heteroaromatic compounds / Carboxylic acid esters / Azacyclic compounds
show 6 more
Substituents
Alkyl aryl ether / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Chlorobenzene / Dicarboxylic acid or derivatives
show 19 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
23TF67G79M
CAS number
31637-97-5
InChI Key
XXRVYAFBUDSLJX-UHFFFAOYSA-N
InChI
InChI=1S/C18H18ClNO5/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13/h3-9,12H,10-11H2,1-2H3
IUPAC Name
2-(pyridine-3-carbonyloxy)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
SMILES
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)OCCOC(=O)C1=CN=CC=C1

References

Synthesis Reference

U.S. Patent 4,028,369.

General References
Not Available
KEGG Drug
D07187
PubChem Compound
65777
PubChem Substance
310264944
ChemSpider
59197
RxNav
24609
ChEBI
135535
ChEMBL
CHEMBL358150
ZINC
ZINC000002019929
Wikipedia
Etofibrate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Capsule, coatedOral500 mg
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)214U.S. Patent 4,028,369.
Predicted Properties
PropertyValueSource
Water Solubility0.0357 mg/mLALOGPS
logP3.73ALOGPS
logP3.63Chemaxon
logS-4ALOGPS
pKa (Strongest Basic)3.24Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area74.72 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity91.34 m3·mol-1Chemaxon
Polarizability36.88 Å3Chemaxon
Number of Rings2Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a4i-1900000000-2840bccf2ed9523d7eca
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-06ri-1952000000-ffe26aeb4d243320c049
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ri-7950000000-ee8958ae6189690abf9b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-9200000000-9e7b021be65be628a2f9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-2900000000-fd056620ea8576a34643
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9500000000-09723013240f22dc6af9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a6r-2910000000-ed4e4938825ae03514ec
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]-180.64081
predicted
DeepCCS 1.0 (2019)
[M+H]+183.05913
predicted
DeepCCS 1.0 (2019)
[M+Na]+190.73949
predicted
DeepCCS 1.0 (2019)

Drug created at June 10, 2014 16:49 / Updated at June 12, 2020 16:52