NAV

Phenothrin

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

Identification

Summary

Phenothrin is a pyrethroid indicated in the treatment of head lice.

Generic Name
Phenothrin
DrugBank Accession Number
DB13717
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 350.4507
Monoisotopic: 350.188194698
Chemical Formula
C23H26O3
Synonyms
  • Phenothrin
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Prevention ofHead lice infestation•••••••••••••••••••
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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Categories

ATC Codes
P03AC53 — Phenothrin, combinationsP03AC03 — Phenothrin
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyrethroids. These are organic compounds similar to the pyrethrins. Some pyrethroids containing a chrysanthemic acid esterified with a cyclopentenone (pyrethrins), or with a phenoxybenzyl group.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Fatty Acyls
Sub Class
Fatty acid esters
Direct Parent
Pyrethroids
Alternative Parents
Diphenylethers / Diarylethers / Monocyclic monoterpenoids / Benzyloxycarbonyls / Aromatic monoterpenoids / Phenoxy compounds / Phenol ethers / Cyclopropanecarboxylic acids and derivatives / Carboxylic acid esters / Monocarboxylic acids and derivatives
show 3 more
Substituents
Aromatic homomonocyclic compound / Aromatic monoterpenoid / Benzenoid / Benzyloxycarbonyl / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Cyclopropanecarboxylic acid or derivatives / Diaryl ether / Diphenylether
show 12 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
cyclopropanes (CHEBI:34916) / Pyrethroid insecticides (C14387)
Affected organisms
Not Available

Chemical Identifiers

UNII
707484X33X
CAS number
26002-80-2
InChI Key
SBNFWQZLDJGRLK-UHFFFAOYSA-N
InChI
InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3
IUPAC Name
(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
SMILES
CC(C)=CC1C(C(=O)OCC2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C

References

General References
  1. TITCK Product Information: Anti-Bit (phenothrin) topical shampoo [Link]
KEGG Compound
C14387
ChemSpider
4603
RxNav
33303
ChEBI
34916
ChEMBL
CHEMBL1322884
Wikipedia
Phenothrin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
ShampooTopical
ShampooTopical408 mg/100ml
ShampooTopical60 ml
Lotion60 ml
SolutionTopical0.200 g
SolutionCutaneous
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00201 mg/mLALOGPS
logP6.42ALOGPS
logP5.57Chemaxon
logS-5.2ALOGPS
pKa (Strongest Basic)-3.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area35.53 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity103.84 m3·mol-1Chemaxon
Polarizability39.83 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Mass Spectrum (Electron Ionization)MSsplash10-00e9-5900000000-82828ceb9c78ca715405
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kb-9500000000-abbd168c108f805c10bc
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014j-0905000000-66d9ba40fea6f06f036c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-2902000000-4d0cb6debd27782b2845
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0900000000-de7486a253f0096430e7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9331000000-40c9e2ca2bde6b8b6af3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001l-9822000000-a4fa9175dd1efdf75b73
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]-187.51091
predicted
DeepCCS 1.0 (2019)
[M+H]+189.86891
predicted
DeepCCS 1.0 (2019)
[M+Na]+196.85004
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:47 / Updated at May 22, 2021 06:01