NAV

Fluazuron

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

Identification

Generic Name
Fluazuron
DrugBank Accession Number
DB15583
Background

Fluazuron is a benzoyl phenylurea compound.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 506.21
Monoisotopic: 505.0019374
Chemical Formula
C20H10Cl2F5N3O3
Synonyms
  • Fluazuron
  • Fluazuronum
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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

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International/Other Brands
ACATAK

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
VB0PV6I7L6
CAS number
86811-58-7
InChI Key
YOWNVPAUWYHLQX-UHFFFAOYSA-N
InChI
InChI=1S/C20H10Cl2F5N3O3/c21-11-5-4-10(29-19(32)30-17(31)16-13(23)2-1-3-14(16)24)7-15(11)33-18-12(22)6-9(8-28-18)20(25,26)27/h1-8H,(H2,29,30,31,32)
IUPAC Name
3-(4-chloro-3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-1-(2,6-difluorobenzoyl)urea
SMILES
FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C(OC2=NC=C(C=C2Cl)C(F)(F)F)=C1

References

General References
Not Available
ChemSpider
59088
ChEBI
39374
ChEMBL
CHEMBL1164608
ZINC
ZINC000002570819

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.00038 mg/mLALOGPS
logP5.41ALOGPS
logP5.97Chemaxon
logS-6.1ALOGPS
pKa (Strongest Acidic)9.05Chemaxon
pKa (Strongest Basic)0.15Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area80.32 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity110.25 m3·mol-1Chemaxon
Polarizability39.91 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0200090000-a39fb31538687f6afca4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9003020000-5af259d2a01baa76aa6b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4r-0900880000-e12d62921b638293fadf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-006x-6309010000-1fee94ef3e42f0956e86
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-1914000000-f36b8c4bab766414f26a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-87e1ef4a3d7e0ea8647a
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-201.9308
predicted
DeepCCS 1.0 (2019)
[M+H]+204.32637
predicted
DeepCCS 1.0 (2019)
[M+Na]+210.2389
predicted
DeepCCS 1.0 (2019)

Drug created at December 10, 2019 18:50 / Updated at February 21, 2021 18:55