NAV

(4-(trifluoromethoxy)phenyl)urea

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

Identification

Generic Name
(4-(trifluoromethoxy)phenyl)urea
DrugBank Accession Number
DB15610
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 220.151
Monoisotopic: 220.045961962
Chemical Formula
C8H7F3N2O2
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

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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Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Uremol 10%Cream100 mg/1gTopicalOdan Laboratories Ltd2019-05-292019-05-30US flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Uremol 10%(4-(trifluoromethoxy)phenyl)urea (100 mg/1g)CreamTopicalOdan Laboratories Ltd2019-05-292019-05-30US flag

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
SQP4E8O29W
CAS number
82971-90-2
InChI Key
LOSFVIMHTOMZKT-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)13-7(12)14/h1-4H,(H3,12,13,14)
IUPAC Name
[4-(trifluoromethoxy)phenyl]urea
SMILES
NC(=O)NC1=CC=C(OC(F)(F)F)C=C1

References

General References
Not Available
ChemSpider
2059459
RxNav
2169961
ZINC
ZINC000002510752

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CreamTopical100 mg/1g
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.188 mg/mLALOGPS
logP2.32ALOGPS
logP2.31Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)14.12Chemaxon
pKa (Strongest Basic)-3.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area64.35 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity42.67 m3·mol-1Chemaxon
Polarizability17.24 Å3Chemaxon
Number of Rings1Chemaxon
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 MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a6r-0900000000-87f803fd73fa314c404e
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00fr-0490000000-48a165301f543093c5fd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00fr-0890000000-4a66a18ce4f8c330e35e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-3900000000-c3f53d7b34a6445f3c2e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9200000000-870563860e04ad8d6709
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pe9-9540000000-7045c4c4618048f27844
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at January 09, 2020 20:14 / Updated at June 12, 2020 16:53