NAV

Transfluthrin

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

Identification

Generic Name
Transfluthrin
DrugBank Accession Number
DB15117
Background

Transfluthrin is under investigation in clinical trial NCT02394522 (Spatial Repellent Products for Control of Vector Borne Diseases - Malaria - Zambia (SR-M-ZM)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 371.15
Monoisotopic: 370.0150477
Chemical Formula
C15H12Cl2F4O2
Synonyms
  • Transfluthrin
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzyloxycarbonyls
Direct Parent
Benzyloxycarbonyls
Alternative Parents
Fluorobenzenes / Cyclopropanecarboxylic acids and derivatives / Aryl fluorides / Ketene acetals / Carboxylic acid esters / Vinyl chlorides / Monocarboxylic acids and derivatives / Chloroalkenes / Organofluorides / Organochlorides
show 3 more
Substituents
Aromatic homomonocyclic compound / Aryl fluoride / Aryl halide / Benzyloxycarbonyl / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Chloroalkene / Cyclopropanecarboxylic acid or derivatives / Fluorobenzene
show 13 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
organofluorine compound, carboxylic ester, organochlorine compound, cyclopropanes (CHEBI:32253) / Pyrethroid insecticides (C13410)
Affected organisms
Not Available

Chemical Identifiers

UNII
QWL3SKA6EG
CAS number
118712-89-3
InChI Key
DDVNRFNDOPPVQJ-HQJQHLMTSA-N
InChI
InChI=1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3/t7-,11+/m1/s1
IUPAC Name
(2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILES
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCC1=C(F)C(F)=CC(F)=C1F

References

General References
Not Available
KEGG Compound
C13410
ChemSpider
570973
ChEBI
32253
ChEMBL
CHEMBL3184657
ZINC
ZINC000005455493
Wikipedia
Transfluthrin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingPreventionChildhood Acute Lymphoblastic Leukemia / Malaria / Vector Borne Diseases1

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 Solubility0.00489 mg/mLALOGPS
logP4.83ALOGPS
logP4.77Chemaxon
logS-4.9ALOGPS
pKa (Strongest Basic)-7.1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area26.3 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity88.91 m3·mol-1Chemaxon
Polarizability30.5 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-00di-1109000000-4d36e3339e3c9bebefa5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ks-0609000000-2f47a679f10bd24a6bfe
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-022a-9837000000-84cd847b24c5b4b97bc2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dj-0901000000-db9fdad1151b000354f8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05r0-2933000000-5fc72b6d5182ad94a27f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-9431000000-2b93f26a74a67f2e07f4
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]-180.93056
predicted
DeepCCS 1.0 (2019)
[M+H]+183.32613
predicted
DeepCCS 1.0 (2019)
[M+Na]+189.33702
predicted
DeepCCS 1.0 (2019)

Drug created at May 20, 2019 14:51 / Updated at February 21, 2021 18:55