(3-methylphenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate (CED0294300)

Record Information
Version1.0
Creation Date2026-08-31 05:33:51 UTC
Update Date2026-08-31 05:33:51 UTC
Accession NumberCHEM339819
Identification
Common Name(3-methylphenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
ClassSmall Molecule
Description
(3-methylphenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate is a chemical compound with the formula C26H22ClNO4 and an average molecular weight of 447.90 g/mol. This substance has been identified in or released from four recorded sources, specifically within electrical and electronic equipment including amplifiers, antennas, auxiliary devices, and radio transmission systems.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC26H22ClNO4
Average Molecular MassNot Available
Monoisotopic Mass447.124 g/mol
CAS Registry Number67369-99-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1=CC(=CC=C1)OC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C
InChI IdentifierInChI=1S/C26H22ClNO4/c1-16-5-4-6-21(13-16)32-25(29)15-22-17(2)28(24-12-11-20(31-3)14-23(22)24)26(30)18-7-9-19(27)10-8-18/h4-14H,15H2,1-3H3
InChI KeyQDCVWPQCSLGGCA-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
218.0Log mg/kg[120:390]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
630ToysRecreation & sports surfacesNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)0.778492
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)0.544945
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)1.08989
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)1.16774
Click to view 3D structureProstaglandin G/H synthase 2Q05769Mus musculusPredicted (SEA)1.16774
Click to view 3D structureProstaglandin D2 receptorP70263Mus musculusPredicted (SEA)1.47914
Click to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)2.80257
Click to view 3D structureProstaglandin E2 receptor EP1 subtypeP35375Mus musculusPredicted (SEA)2.41333
Click to view 3D structureProstaglandin E2 receptor EP3 subtypeP30557Mus musculusPredicted (SEA)2.88042
Click to view 3D structureProstaglandin E2 receptor EP4 subtypeP32240Mus musculusPredicted (SEA)2.49118
Click to view 3D structureProstaglandin E2 receptor EP2 subtypeQ62053Mus musculusPredicted (SEA)2.41333
Aldo-keto reductase family 1 member C4 structureClick to view 3D structureAldo-keto reductase family 1 member C4P17516HumansPredicted (SEA)1.71268
Aldo-keto reductase family 1 member C1 structureClick to view 3D structureAldo-keto reductase family 1 member C1Q04828HumansPredicted (SEA)1.47914
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)202.642
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)16.8933
Prostaglandin D2 receptor 2 structureClick to view 3D structureProstaglandin D2 receptor 2Q9Y5Y4HumansPredicted (SEA)7.94062
Click to view 3D structureSolute carrier family 2, facilitated glucose transporter member 1P11167Rattus norvegicusPredicted (SEA)0.233548
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)35.9663
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)34.7986
Click to view 3D structureAldo-keto reductase family 1 member B1P16116Bos taurusPredicted (SEA)7.31783
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)23.8997
Click to view 3D structureAldo-keto reductase family 1 member B1P07943Rattus norvegicusPredicted (SEA)17.3604
Click to view 3D structureProstaglandin G/H synthase 2P35355Rattus norvegicusPredicted (SEA)1.01204
Prostacyclin receptor structureClick to view 3D structureProstacyclin receptorP43119HumansPredicted (SEA)7.94062
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)219.301
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available