NAV

Dapaconazole

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

Identification

Generic Name
Dapaconazole
DrugBank Accession Number
DB11985
Background

Dapaconazole has been used in trials studying the treatment of Tinea Pedis.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 415.24
Monoisotopic: 414.051353
Chemical Formula
C19H15Cl2F3N2O
Synonyms
  • Dapaconazole
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Trifluoromethylbenzenes
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Benzylethers / Dichlorobenzenes / N-substituted imidazoles / Aryl chlorides / Heteroaromatic compounds / Dialkyl ethers / Azacyclic compounds / Organonitrogen compounds / Organofluorides / Organochlorides
show 2 more
Substituents
1,3-dichlorobenzene / Alkyl fluoride / Alkyl halide / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Azole / Benzylether / Chlorobenzene
show 16 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
H2976538CX
CAS number
1269726-67-1
InChI Key
FUAHXHWSMYFWGE-UHFFFAOYSA-N
InChI
InChI=1S/C19H15Cl2F3N2O/c20-15-5-6-16(17(21)9-15)18(10-26-8-7-25-12-26)27-11-13-1-3-14(4-2-13)19(22,23)24/h1-9,12,18H,10-11H2
IUPAC Name
1-[2-(2,4-dichlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-1H-imidazole
SMILES
FC(F)(F)C1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C=C1

References

General References
Not Available
PubChem Compound
51001696
PubChem Substance
347828306
ChemSpider
34500833

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentTinea Pedis1
3WithdrawnTreatmentTinea Pedis1
2CompletedTreatmentTinea Cruris1
2CompletedTreatmentTinea Pedis1

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 Solubility0.000534 mg/mLALOGPS
logP4.91ALOGPS
logP5.63Chemaxon
logS-5.9ALOGPS
pKa (Strongest Basic)6.77Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area27.05 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity99.43 m3·mol-1Chemaxon
Polarizability38.05 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a4i-8921000000-772be449d1b4ccb6705d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0100900000-21a9e1a0a372aa6cdbb5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-1631900000-983e0069cc709ff864c8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-1008900000-0e2081f934ff87c979a6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9640100000-c27617729d01bb3ee1a5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-066u-9820100000-857674648eb8937d2037
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00lr-9301000000-a2a5ee1744548119d455
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]-185.57169
predicted
DeepCCS 1.0 (2019)
[M+H]+187.92969
predicted
DeepCCS 1.0 (2019)
[M+Na]+195.02316
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:08 / Updated at February 21, 2021 18:53