Fluxapyroxad (CED0011022)

Record Information
Version1.0
Creation Date2016-06-03 11:25:10 UTC
Update Date2026-08-19 22:47:14 UTC
SynCED IDCED0011022
Secondary Accession Numbers
  • CHEM043902
Identification
Common NameFluxapyroxad
ClassSmall Molecule
Description
Fluxapyroxad is an organic compound with the formula C18H12F5N3O and an average molecular weight of 381.31 g/mol. Fluxapyroxad belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids. This compound has been released from two recorded sources: drinking water (drinking water & water supply) and the treatment of hops (food, food processing & cookware). The recorded route of exposure for this substance is oral.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
3-(Difluoromethyl)-1-methyl-N-(3',4',5'-trifluorobiphenyl-2-yl)pyrazole-4-carboxamideChEBI
XemiumMeSH
3-(Difluoromethyl)-1-methyl-N-{3',4',5'-trifluoro-[1,1'-biphenyl]-2-yl}-1H-pyrazole-4-carboximidateGenerator
Chemical FormulaC18H12F5N3O
Average Molecular Mass381.306 g/mol
Monoisotopic Mass381.090 g/mol
CAS Registry Number907204-31-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESCN1C=C(C(O)=NC2=CC=CC=C2C2=CC(F)=C(F)C(F)=C2)C(=N1)C(F)F
InChI IdentifierInChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)
InChI KeySXSGXWCSHSVPGB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassAnilides
Direct ParentAromatic anilides
Alternative Parents
Substituents
  • Aromatic anilide
  • Biphenyl
  • Pyrazole-4-carboxamide
  • Fluorobenzene
  • Halobenzene
  • Aryl fluoride
  • Aryl halide
  • Azole
  • Heteroaromatic compound
  • Vinylogous amide
  • Pyrazole
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Azacycle
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Alkyl fluoride
  • Organohalogen compound
  • Organofluoride
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Alkyl halide
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0009000000-005674b42190f5040c6dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-1906000000-cec32b85dd1f8971aab7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-1900000000-76b0ba877f608283f5d9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0109000000-6b2c8def8dbd63479064Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0619000000-de3a2b327f432c0b4b11Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00b9-7590000000-7133995c21d1531c5782Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
965.0 Log mg/kg [540:1700]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
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
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
CEDs000553Treatment Of Hops?Hops, a key ingredient in brewing and food flavoring, can be a source of synthetic chemical contamination due to various agricultural practices.Food, food processing & cookwarePubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000597Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.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
CEDs000607Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.Agriculture & land managementPubChem
CEDs000608Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.Agriculture & land managementPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000673Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.Aviation & AerospacePubChem
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
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
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
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.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
CEDs01390ShellfishFood, food processing & cookwarePMC11215702
CEDs02417Freshwater FishAquatic systems & sedimentsPMC11215702
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureDual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11AP0C1Q2Mus musculusPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.256 Low confidence
Statistical Significance
5.90e-04
Supporting Reference Compounds
1
E-value
4.5931
Complement decay-accelerating factor structureClick to view 3D structureComplement decay-accelerating factorP08174HumansPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.253 Low confidence
Statistical Significance
7.90e-04
Supporting Reference Compounds
1
E-value
6.15009
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A structureClick to view 3D structurecAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10AQ9Y233HumansPredicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.235 Low confidence
Statistical Significance
0.1049
Supporting Reference Compounds
146
E-value
816.794
3',5'-cyclic-AMP phosphodiesterase 4A structureClick to view 3D structure3',5'-cyclic-AMP phosphodiesterase 4AP27815HumansPredicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.235 Low confidence
Statistical Significance
0.0807
Supporting Reference Compounds
80
E-value
628.088
Ribosomal protein S6 kinase alpha-3 structureClick to view 3D structureRibosomal protein S6 kinase alpha-3P51812HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.247 Low confidence
Statistical Significance
0.579
Supporting Reference Compounds
733
E-value
4507.24
Casein kinase I isoform delta structureClick to view 3D structureCasein kinase I isoform deltaP48730HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.247 Low confidence
Statistical Significance
0.544
Supporting Reference Compounds
637
E-value
4235.39
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)
Prediction Confidence Score
0.221
Applicability Domain
0.247 Low confidence
Statistical Significance
0.6381
Supporting Reference Compounds
906
E-value
4967.64
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)
Prediction Confidence Score
0.22
Applicability Domain
0.247 Low confidence
Statistical Significance
0.6547
Supporting Reference Compounds
996
E-value
5096.63
Tyrosine-protein kinase receptor UFO structureClick to view 3D structureTyrosine-protein kinase receptor UFOP30530HumansPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.247 Low confidence
Statistical Significance
0.5328
Supporting Reference Compounds
475
E-value
4148.12
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.256 Low confidence
Statistical Significance
0.8677
Supporting Reference Compounds
1538
E-value
6755.21
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.256 Low confidence
Statistical Significance
0.812
Supporting Reference Compounds
1130
E-value
6321.75
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.261 Low confidence
Statistical Significance
0.3667
Supporting Reference Compounds
331
E-value
2854.42
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.261 Low confidence
Statistical Significance
0.3405
Supporting Reference Compounds
284
E-value
2650.92
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.247 Low confidence
Statistical Significance
0.7681
Supporting Reference Compounds
1660
E-value
5979.37
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.247 Low confidence
Statistical Significance
0.7449
Supporting Reference Compounds
1157
E-value
5798.83
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.256 Low confidence
Statistical Significance
0.8516
Supporting Reference Compounds
1245
E-value
6629.72
Fibroblast growth factor receptor 1 structureClick to view 3D structureFibroblast growth factor receptor 1P11362HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.247 Low confidence
Statistical Significance
0.7034
Supporting Reference Compounds
1010
E-value
5475.91
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.247 Low confidence
Statistical Significance
0.7406
Supporting Reference Compounds
1274
E-value
5765.51
Dual specificity protein kinase CLK2 structureClick to view 3D structureDual specificity protein kinase CLK2P49760HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.247 Low confidence
Statistical Significance
0.6581
Supporting Reference Compounds
727
E-value
5123.1
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.247 Low confidence
Statistical Significance
0.6569
Supporting Reference Compounds
742
E-value
5113.92
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.253 Low confidence
Statistical Significance
0.468
Supporting Reference Compounds
385
E-value
3643.66
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.215
Applicability Domain
0.242 Low confidence
Statistical Significance
0.2994
Supporting Reference Compounds
201
E-value
2330.96
Casein kinase I isoform gamma-3 structureClick to view 3D structureCasein kinase I isoform gamma-3Q9Y6M4HumansPredicted (SEA)
Prediction Confidence Score
0.215
Applicability Domain
0.247 Low confidence
Statistical Significance
0.555
Supporting Reference Compounds
421
E-value
4320.79
Ribosomal protein S6 kinase beta-1 structureClick to view 3D structureRibosomal protein S6 kinase beta-1P23443HumansPredicted (SEA)
Prediction Confidence Score
0.215
Applicability Domain
0.247 Low confidence
Statistical Significance
0.6341
Supporting Reference Compounds
590
E-value
4936.34
Mitogen-activated protein kinase 9 structureClick to view 3D structureMitogen-activated protein kinase 9P45984HumansPredicted (SEA)
Prediction Confidence Score
0.215
Applicability Domain
0.247 Low confidence
Statistical Significance
0.6918
Supporting Reference Compounds
758
E-value
5385.92
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkFluxapyroxad
Chemspider IDNot Available
ChEBI ID83113
PubChem Compound ID16095400
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available