Deltamethrin

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

Identification

Generic Name

Deltamethrin

DrugBank Accession Number

DB13600

Background

Not Available

Type

Small Molecule

Groups

Experimental

Structure

Similar Structures

Weight: Average: 505.199
Monoisotopic: 502.973168773
Chemical Formula: C₂₂H₁₉Br₂NO₃

Synonyms

Decamethrin

Pharmacology

Indication

Not Available

Reduce drug development failure rates

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Contraindications & Blackbox Warnings

Avoid life-threatening adverse drug events

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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

Hover over products below to view reaction partners

Deltamethrin
- 4'-OH-deltamethrin

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

ATC Codes

P03BA03 — Decamethrin

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 / Benzyloxycarbonyls / Phenoxy compounds / Phenol ethers / Cyclopropanecarboxylic acids and derivatives / Carboxylic acid esters / Ketene acetals / Bromoalkenes / Vinyl bromides

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Substituents: Aromatic homomonocyclic compound / Benzenoid / Benzyloxycarbonyl / Bromoalkene / Carbonitrile / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Cyclopropanecarboxylic acid or derivatives / Diaryl ether

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Molecular Framework: Aromatic homomonocyclic compounds
External Descriptors: organobromine compound, aromatic ether, carboxylic ester, nitrile (CHEBI:4388) / Pyrethroid insecticides (C10985)

Affected organisms

Not Available

Chemical Identifiers

UNII: 2JTS8R821G
CAS number: 52918-63-5
InChI Key: OWZREIFADZCYQD-NSHGMRRFSA-N
InChI: InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1
IUPAC Name: (S)-cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILES: [H][C@@](OC(=O)[C@]1([H])[C@]([H])(C=C(Br)Br)C1(C)C)(C#N)C1=CC(OC2=CC=CC=C2)=CC=C1

References

General References

Not Available

External Links

Human Metabolome Database: HMDB0041866
KEGG Compound: C10985
ChemSpider: 37079
RxNav: 22374
ChEBI: 4388
ChEMBL: CHEMBL1593566
ZINC: ZINC000001532094
Wikipedia: Deltamethrin

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count

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

Property	Value	Source
Water Solubility	0.00125 mg/mL	ALOGPS
logP	6.13	ALOGPS
logP	5.74	Chemaxon
logS	-5.6	ALOGPS
pKa (Strongest Acidic)	10.65	Chemaxon
pKa (Strongest Basic)	-3.7	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	2	Chemaxon
Hydrogen Donor Count	0	Chemaxon
Polar Surface Area	59.32 Å²	Chemaxon
Rotatable Bond Count	7	Chemaxon
Refractivity	124.29 m³·mol^-1	Chemaxon
Polarizability	42.76 Å³	Chemaxon
Number of Rings	3	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	Not Available
Mass Spectrum (Electron Ionization)	MS	splash10-0ff3-7940000000-0aa3b4a622f8410e5b43
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
1H NMR Spectrum	1D NMR	Not Applicable
13C NMR Spectrum	1D NMR	Not Applicable

Drug created at June 23, 2017 20:45 / Updated at June 12, 2020 16:53