2-[4-[2-(2-acetyloxybenzoyl)oxyethyl]piperazin-1-yl]ethyl 2-acetyloxybenzoate (CED0295277)

Record Information
Version1.0
Creation Date2026-08-31 07:08:15 UTC
Update Date2026-08-31 07:08:15 UTC
Accession NumberCHEM340807
Identification
Common Name2-[4-[2-(2-acetyloxybenzoyl)oxyethyl]piperazin-1-yl]ethyl 2-acetyloxybenzoate
ClassSmall Molecule
Description
2-[4-[2-(2-acetyloxybenzoyl)oxyethyl]piperazin-1-yl]ethyl 2-acetyloxybenzoate is a compound with the formula C26H30N2O8. It has an average molecular weight of 498.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC26H30N2O8
Average Molecular MassNot Available
Monoisotopic Mass498.200 g/mol
CAS Registry Number79874-85-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(=O)OC1=CC=CC=C1C(=O)OCCN2CCN(CC2)CCOC(=O)C3=CC=CC=C3OC(=O)C
InChI IdentifierInChI=1S/C26H30N2O8/c1-19(29)35-23-9-5-3-7-21(23)25(31)33-17-15-27-11-13-28(14-12-27)16-18-34-26(32)22-8-4-6-10-24(22)36-20(2)30/h3-10H,11-18H2,1-2H3
InChI KeyBJSDZTFKAMAMKC-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
2736.0Log mg/kg[1500:4900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
530Radio Transmission SystemsElectrical & Electronic EquipmentNot 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)1.47914
Click to view 3D structureComplement factor DP32038Rattus norvegicusPredicted (SEA)0.856341
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)212.373
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)187.227
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)252.932
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)311.163
D(1A) dopamine receptor structureClick to view 3D structureD(1A) dopamine receptorP21728HumansPredicted (SEA)135.925
5-hydroxytryptamine receptor 7 structureClick to view 3D structure5-hydroxytryptamine receptor 7P34969HumansPredicted (SEA)206.845
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)240.398
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)314.9
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)385.354
Click to view 3D structure5-hydroxytryptamine receptor 7P32305Rattus norvegicusPredicted (SEA)77.9271
5-hydroxytryptamine receptor 4 structureClick to view 3D structure5-hydroxytryptamine receptor 4Q13639HumansPredicted (SEA)23.5105
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)81.586
5-hydroxytryptamine receptor 3A structureClick to view 3D structure5-hydroxytryptamine receptor 3AP46098HumansPredicted (SEA)82.4423
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)223.116
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)133.901
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)231.679
Histamine H2 receptor structureClick to view 3D structureHistamine H2 receptorP25021HumansPredicted (SEA)91.8621
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)150.872
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)309.684
5-hydroxytryptamine receptor 1B structureClick to view 3D structure5-hydroxytryptamine receptor 1BP28222HumansPredicted (SEA)130.475
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)274.574
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)186.916
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)190.03
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available