NAV

Epirizole

Identification

Generic Name
Epirizole
DrugBank Accession Number
DB08991
Background

Epirizole is an oral nonsteroidal anti-inflammatory drug (NSAID) used for muscle and joint pain.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 234.2545
Monoisotopic: 234.111675712
Chemical Formula
C11H14N4O2
Synonyms
  • 4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidine
  • Epirizol
  • Epirizole
  • Epirizolum
  • Mepirizol
  • Methopyrimazole
  • Polihexanid
External IDs
  • DA 398
  • DA-398
  • Knoll 533
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
AbacavirEpirizole may decrease the excretion rate of Abacavir which could result in a higher serum level.
AbciximabThe risk or severity of bleeding and hemorrhage can be increased when Epirizole is combined with Abciximab.
AcebutololEpirizole may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of adverse effects can be increased when Aceclofenac is combined with Epirizole.
AcemetacinThe risk or severity of adverse effects can be increased when Epirizole is combined with Acemetacin.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Epirizole hydrochloride138HY1BQ0TNot AvailableYJVOCLSBUGKSCI-UHFFFAOYSA-N
International/Other Brands
Karmarte (Toho) / Mebron (Daiichi Sankyo)

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Ethers
Direct Parent
Alkyl aryl ethers
Alternative Parents
Pyrimidines and pyrimidine derivatives / Pyrazoles / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
Alkyl aryl ether / Aromatic heteromonocyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Organic nitrogen compound / Organoheterocyclic compound / Organonitrogen compound / Organopnictogen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3B46O2FH8I
CAS number
18694-40-1
InChI Key
RHAXSHUQNIEUEY-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3
IUPAC Name
4-methoxy-2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-6-methylpyrimidine
SMILES
COC1=CC(C)=NN1C1=NC(C)=CC(OC)=N1

References

Synthesis Reference

South African Patent Application 67/4936; January 19, 1968; assigned to Daiichi Seiyaku Company Limited, Japan.

General References
Not Available
KEGG Drug
D01394
PubChem Compound
3242
PubChem Substance
310264952
ChemSpider
3129
ChEBI
31545
ChEMBL
CHEMBL1411693
ZINC
ZINC000000057412
Drugs.com
Drugs.com Drug Page
Wikipedia
Epirizole

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)90-92South African Patent Application 67/4936; January 19, 1968; assigned to Daiichi Seiyaku Company Limited, Japan.
Predicted Properties
PropertyValueSource
Water Solubility1.13 mg/mLALOGPS
logP1.56ALOGPS
logP1.45Chemaxon
logS-2.3ALOGPS
pKa (Strongest Basic)1.96Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area62.06 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity62.71 m3·mol-1Chemaxon
Polarizability24.79 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
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSsplash10-00di-3930000000-1626dd87c849d820e5e4
MS/MS Spectrum - , positiveLC-MS/MSsplash10-000i-0390000000-9b005e40342ab7df46f0
MS/MS Spectrum - , positiveLC-MS/MSsplash10-00di-3930000000-1626dd87c849d820e5e4
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01p9-1490000000-54ec1ff189d59d160444
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-a5762cfba8c77d65e50b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001j-9100000000-cc18319df4ea003f440e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0100-9610000000-8c99aab131fb58b2f447
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000w-9100000000-31b51438f62553a3b168
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000f-9300000000-9e681136151987c7aca5
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]-168.6579418
predicted
DarkChem Lite v0.1.0
[M-H]-152.5788
predicted
DeepCCS 1.0 (2019)
[M+H]+169.2157418
predicted
DarkChem Lite v0.1.0
[M+H]+154.93684
predicted
DeepCCS 1.0 (2019)
[M+Na]+168.3804418
predicted
DarkChem Lite v0.1.0
[M+Na]+161.03008
predicted
DeepCCS 1.0 (2019)

Drug created at June 10, 2014 23:13 / Updated at February 21, 2021 18:52