[cyano-(6-phenoxypyridin-2-yl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (CED0172095)

Record Information
Version1.0
Creation Date2026-08-21 18:01:57 UTC
Update Date2026-08-21 18:01:57 UTC
SynCED IDCED0172095
Secondary Accession Numbers
  • CHEM202954
Identification
Common Name[cyano-(6-phenoxypyridin-2-yl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
ClassSmall Molecule
Description
[cyano-(6-phenoxypyridin-2-yl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C21H18Cl2N2O3 and an average molecular weight of 417.30 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H18Cl2N2O3
Average Molecular Mass417.300 g/mol
Monoisotopic Mass416.069 g/mol
CAS Registry Number68523-18-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C21H18Cl2N2O3/c1-21(2)14(11-17(22)23)19(21)20(26)28-16(12-24)15-9-6-10-18(25-15)27-13-7-4-3-5-8-13/h3-11,14,16,19H,1-2H3
InChI KeyIHVPAVRHNZFQKC-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
212.0 Log mg/kg [120:380]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000598Fertiliser Distributors?Fertiliser distributors play a critical role in the supply of synthetic fertilizers, which are widely used to enhance soil fertility and crop yield.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Tyrosine-protein kinase BTK structureClick to view 3D structureTyrosine-protein kinase BTKQ06187HumansPredicted (SEA)
Prediction Confidence Score
0.215
Applicability Domain
0.221 Low confidence
Statistical Significance
0.6728
Supporting Reference Compounds
798
E-value
5237.93
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.22 Low confidence
Statistical Significance
0.2514
Supporting Reference Compounds
173
E-value
1957.52
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.22 Low confidence
Statistical Significance
0.2391
Supporting Reference Compounds
141
E-value
1861.69
Click to view 3D structure15-cis-phytoene desaturaseP26294Synechococcus elongatus (strain PCC 7942) (Anacystis nidulans R2)Predicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.213 Low confidence
Statistical Significance
0.0573
Supporting Reference Compounds
1
E-value
445.842
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.218 Low confidence
Statistical Significance
0.8951
Supporting Reference Compounds
1498
E-value
6968.67
Click to view 3D structureCasein kinase I isoform alphaP67827Bos taurusPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.212 Low confidence
Statistical Significance
0.0296
Supporting Reference Compounds
1
E-value
230.745
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.218 Low confidence
Statistical Significance
0.2668
Supporting Reference Compounds
167
E-value
2076.94
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.218 Low confidence
Statistical Significance
0.4764
Supporting Reference Compounds
400
E-value
3708.74
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.218 Low confidence
Statistical Significance
0.409
Supporting Reference Compounds
292
E-value
3184.19
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)
Prediction Confidence Score
0.21
Applicability Domain
0.218 Low confidence
Statistical Significance
0.2293
Supporting Reference Compounds
129
E-value
1784.93
Tyrosine-protein kinase Tec structureClick to view 3D structureTyrosine-protein kinase TecP42680HumansPredicted (SEA)
Prediction Confidence Score
0.21
Applicability Domain
0.221 Low confidence
Statistical Significance
0.3796
Supporting Reference Compounds
179
E-value
2955.16
Click to view 3D structureProcathepsin LP25975Bos taurusPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.22 Low confidence
Statistical Significance
0.0549
Supporting Reference Compounds
12
E-value
427.704
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.27 Low confidence
Statistical Significance
0.4625
Supporting Reference Compounds
331
E-value
3600.45
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)
Prediction Confidence Score
0.208
Applicability Domain
0.27 Low confidence
Statistical Significance
0.4452
Supporting Reference Compounds
284
E-value
3466.16
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.208
Applicability Domain
0.225 Low confidence
Statistical Significance
0.2524
Supporting Reference Compounds
102
E-value
1964.76
Lysyl oxidase homolog 2 structureClick to view 3D structureLysyl oxidase homolog 2Q9Y4K0HumansPredicted (SEA)
Prediction Confidence Score
0.207
Applicability Domain
0.224 Low confidence
Statistical Significance
0.0374
Supporting Reference Compounds
26
E-value
291.312
Low molecular weight phosphotyrosine protein phosphatase structureClick to view 3D structureLow molecular weight phosphotyrosine protein phosphataseP40347Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.207
Applicability Domain
0.207 Low confidence
Statistical Significance
0.0123
Supporting Reference Compounds
1
E-value
95.6767
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)
Prediction Confidence Score
0.207
Applicability Domain
0.217 Low confidence
Statistical Significance
0.8387
Supporting Reference Compounds
1130
E-value
6529.45
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.225 Low confidence
Statistical Significance
0.2117
Supporting Reference Compounds
76
E-value
1648.38
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.211 Low confidence
Statistical Significance
0.8468
Supporting Reference Compounds
1301
E-value
6591.96
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.211 Low confidence
Statistical Significance
0.9132
Supporting Reference Compounds
1245
E-value
7109.58
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.213 Low confidence
Statistical Significance
0.4698
Supporting Reference Compounds
269
E-value
3657.04
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.209 Low confidence
Statistical Significance
0.8661
Supporting Reference Compounds
1660
E-value
6742.83
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.217 Low confidence
Statistical Significance
0.4804
Supporting Reference Compounds
296
E-value
3739.57
Cruzipain structureClick to view 3D structureCruzipainP25779Trypanosoma cruziPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.211 Low confidence
Statistical Significance
0.1882
Supporting Reference Compounds
65
E-value
1465.12
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available