2-[n-[2-(3,5-dichloro-2-methoxybenzoyl)oxyethyl]anilino]ethyl 3,6-dichloro-2-methoxybenzoate (CED0294391)

Record Information
Version1.0
Creation Date2026-08-31 05:44:37 UTC
Update Date2026-08-31 05:44:37 UTC
Accession NumberCHEM339911
Identification
Common Name2-[n-[2-(3,5-dichloro-2-methoxybenzoyl)oxyethyl]anilino]ethyl 3,6-dichloro-2-methoxybenzoate
ClassSmall Molecule
Description
2-[n-[2-(3,5-dichloro-2-methoxybenzoyl)oxyethyl]anilino]ethyl 3,6-dichloro-2-methoxybenzoate is a chemical compound with the formula C26H23Cl4NO6. With an average molecular weight of 587.30 g/mol, 2-[n-[2-(3,5-dichloro-2-methoxybenzoyl)oxyethyl]anilino]ethyl 3,6-dichloro-2-methoxybenzoate is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC26H23Cl4NO6
Average Molecular MassNot Available
Monoisotopic Mass585.028 g/mol
CAS Registry Number56141-00-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=C(C=CC(=C1C(=O)OCCN(CCOC(=O)C2=C(C(=CC(=C2)Cl)Cl)OC)C3=CC=CC=C3)Cl)Cl
InChI IdentifierInChI=1S/C26H23Cl4NO6/c1-34-23-18(14-16(27)15-21(23)30)25(32)36-12-10-31(17-6-4-3-5-7-17)11-13-37-26(33)22-19(28)8-9-20(29)24(22)35-2/h3-9,14-15H,10-13H2,1-2H3
InChI KeyRCOHXZITQFQFRZ-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
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
2314.0Log mg/kg[1300:4100]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
602MolluscicidesAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureEquilibrative nucleoside transporter 2O54699Rattus norvegicusPredicted (SEA)37.0562
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)572.27
Click to view 3D structure5-hydroxytryptamine receptor 4O70528Cavia porcellusPredicted (SEA)343.938
Click to view 3D structure5-hydroxytryptamine receptor 4Q62758Rattus norvegicusPredicted (SEA)190.264
G-protein coupled receptor 55 structureClick to view 3D structureG-protein coupled receptor 55Q9Y2T6HumansPredicted (SEA)286.952
Click to view 3D structureEnergy-coupling factor transporter transmembrane protein EcfTA0A510WMC0Lactobacillus caseiPredicted (SEA)12.4559
5-hydroxytryptamine receptor 4 structureClick to view 3D structure5-hydroxytryptamine receptor 4Q13639HumansPredicted (SEA)412.834
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)1070.82
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)1427.29
Sphingosine 1-phosphate receptor 1 structureClick to view 3D structureSphingosine 1-phosphate receptor 1P21453HumansPredicted (SEA)581.767
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)1596.06
E3 ubiquitin-protein ligase RNF4 structureClick to view 3D structureE3 ubiquitin-protein ligase RNF4P78317HumansPredicted (SEA)94.3533
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)4697.81
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)1489.96
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)776.001
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)3655.8
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)2139.61
Click to view 3D structurePancreatic alpha-amylaseP00689Rattus norvegicusPredicted (SEA)16.0369
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)4414.6
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)3646.38
Click to view 3D structureSubstance-K receptorP30549Mus musculusPredicted (SEA)29.8163
Click to view 3D structureMuscarinic acetylcholine receptor M2P10980Rattus norvegicusPredicted (SEA)280.646
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)3228.8
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)1631.72
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)5403.98
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available