Ethyl [(1r,9r,10s,13r)-10-hydroxy-3,4-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-yl] carbonate (CED0283769)

Record Information
Version1.0
Creation Date2026-08-30 14:37:08 UTC
Update Date2026-08-30 14:37:08 UTC
Accession NumberCHEM329178
Identification
Common NameEthyl [(1r,9r,10s,13r)-10-hydroxy-3,4-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-yl] carbonate
ClassSmall Molecule
Description
Ethyl [(1r,9r,10s,13r)-10-hydroxy-3,4-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-yl] carbonate is a chemical compound with the formula C22H31NO6. It has an average molecular weight of 405.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC22H31NO6
Average Molecular MassNot Available
Monoisotopic Mass405.215 g/mol
CAS Registry Number106884-98-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCOC(=O)OC1CCC2(C3CC4=C(C2(C1)CCN3C)C(=C(C=C4)OC)OC)O
InChI IdentifierInChI=1S/C22H31NO6/c1-5-28-20(24)29-15-8-9-22(25)17-12-14-6-7-16(26-3)19(27-4)18(14)21(22,13-15)10-11-23(17)2/h6-7,15,17,25H,5,8-13H2,1-4H3/t15-,17-,21-,22-/m1/s1
InChI KeyADTDNFFHPRZSOT-PVFUSPOPSA-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
2367.0Log mg/kg[1300:4200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
537Television SystemsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)333.662
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)252.621
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)215.72
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)214.319
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)308.283
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP42866Mus musculusPredicted (SEA)143.788
Click to view 3D structureKappa-type opioid receptorP34975Rattus norvegicusPredicted (SEA)171.424
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)396.408
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)275.664
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)288.743
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)655.646
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)1828.83
Click to view 3D structureKappa-type opioid receptorP33534Mus musculusPredicted (SEA)186.838
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)547.591
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)1749.97
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)2070.01
D(1A) dopamine receptor structureClick to view 3D structureD(1A) dopamine receptorP21728HumansPredicted (SEA)1024.96
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)1263.73
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)2221.43
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)1510.74
Click to view 3D structureEquilibrative nucleoside transporter 2O54699Rattus norvegicusPredicted (SEA)70.3757
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)1602.76
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)2241.82
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)2420.41
Orexin/Hypocretin receptor type 1 structureClick to view 3D structureOrexin/Hypocretin receptor type 1O43613HumansPredicted (SEA)231.757
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available