(3ar,5s,6s,7r,7ar)-5-(difluoromethyl)-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol (CED0222437)

Record Information
Version1.0
Creation Date2026-08-25 12:07:00 UTC
Update Date2026-08-25 12:07:00 UTC
Accession NumberCHEM264506
Identification
Common Name(3ar,5s,6s,7r,7ar)-5-(difluoromethyl)-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
ClassSmall Molecule
Description
(3ar,5s,6s,7r,7ar)-5-(difluoromethyl)-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C9H14F2N2O3S and an average molecular weight of 268.28 g/mol. The compound is found in or released from seven recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, relays, adjustable resistors, sparking plugs, and superconducting magnets and superconducting coils. Additionally, it is found in building and construction materials, specifically in roofs and sunshades, awnings, or outside screens.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC9H14F2N2O3S
Average Molecular Mass268.280 g/mol
Monoisotopic Mass268.069 g/mol
CAS Registry Number1382799-40-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H14F2N2O3S/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1
InChI KeyUDQTXCHQKHIQMH-KYGLGHNPSA-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1447.0Log mg/kg[810:2600]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
499RoofsBuilding & ConstructionNot Available
502Sunshades Awnings Or Outside ScreensBuilding & ConstructionNot Available
504Adjustable ResistorsElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
531RelaysElectrical & Electronic EquipmentNot Available
533Sparking PlugsElectrical & Electronic EquipmentNot Available
535Superconducting Magnets And Superconducting CoilsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
4-hydroxy-2-oxoglutarate aldolase, mitochondrial structureClick to view 3D structure4-hydroxy-2-oxoglutarate aldolase, mitochondrialQ86XE5HumansPredicted (SEA)8.64126
Click to view 3D structureBeta-galactosidaseQ2U7N3Aspergillus oryzaePredicted (SEA)3.97031
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11 structureClick to view 3D structureNADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11Q8HXG6Bos taurusPredicted (SEA)80.3404
Endo-beta-N-acetylglucosaminidase structureClick to view 3D structureEndo-beta-N-acetylglucosaminidaseQ9ZB22Arthrobacter protophormiaePredicted (SEA)27.7143
Protein O-GlcNAcase structureClick to view 3D structureProtein O-GlcNAcaseO60502HumansPredicted (SEA)1270.58
Click to view 3D structureGlucosylceramidaseQ2KHZ8Bos taurusPredicted (SEA)11.2881
Click to view 3D structureLysosomal alpha-glucosidaseQ6P7A9Rattus norvegicusPredicted (SEA)57.3749
Click to view 3D structureProtein O-GlcNAcaseQ8VIJ5Rattus norvegicusPredicted (SEA)78.472
Click to view 3D structureBeta-galactosidaseQ58D55Bos taurusPredicted (SEA)200.773
Beta-hexosaminidase subunit beta structureClick to view 3D structureBeta-hexosaminidase subunit betaP07686HumansPredicted (SEA)35.8106
Click to view 3D structureP2Y purinoceptor 6Q15077HumansPredicted (SEA)2097.88
Click to view 3D structureAlpha-galactosidaseQ5DUH8Coffea arabicaPredicted (SEA)12.923
Cytidine deaminase structureClick to view 3D structureCytidine deaminaseP32320HumansPredicted (SEA)129.463
Sodium/glucose cotransporter 2 structureClick to view 3D structureSodium/glucose cotransporter 2P31639HumansPredicted (SEA)1607.59
Click to view 3D structureSucrase-isomaltase, intestinalP23739Rattus norvegicusPredicted (SEA)131.02
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)4153.02
Click to view 3D structureBiotin--protein ligaseP50747HumansPredicted (SEA)70.7649
Lysosomal acid glucosylceramidase structureClick to view 3D structureLysosomal acid glucosylceramidaseP04062HumansPredicted (SEA)3749.37
Click to view 3D structureSodium/glucose cotransporter 2Q923I7Mus musculusPredicted (SEA)810.177
Lysosomal alpha-glucosidase structureClick to view 3D structureLysosomal alpha-glucosidaseP10253HumansPredicted (SEA)367.448
Click to view 3D structureAlpha-galactosidaseQ42656Coffea arabicaPredicted (SEA)160.914
Click to view 3D structureProbable alpha-glucosidase Os06g0675700Q653V7Oryza sativa Japonica GroupPredicted (SEA)25.6124
Click to view 3D structureP2Y purinoceptor 4P51582HumansPredicted (SEA)2818.22
Lectin structureClick to view 3D structureLectinB4EH87Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))Predicted (SEA)61.968
Click to view 3D structureAdenosine deaminaseQ86GS5Plasmodium falciparumPredicted (SEA)105.875
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available