(4r,4ar,7s,7ar,12bs)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol (CED0183486)

Record Information
Version1.0
Creation Date2026-08-22 01:25:23 UTC
Update Date2026-08-22 01:25:23 UTC
Accession NumberCHEM207586
Identification
Common Name(4r,4ar,7s,7ar,12bs)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
ClassSmall Molecule
Description
(4r,4ar,7s,7ar,12bs)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol belongs to the morphinans, a class of alkaloids and derivatives within the organic compounds. This compound has the chemical formula C23H30N2O4 and an average molecular weight of 398.50 g/mol. It has been found in or released from two recorded sources: magnets used in electrical and electronic equipment, and non-electric simulated smoking devices categorized as household cleaning and consumer products.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC23H30N2O4
Average Molecular Mass398.500 g/mol
Monoisotopic Mass398.221 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1
InChI KeyGPFAJKDEDBRFOS-FKQDBXSBSA-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0udi-4129000000-92c59129a2ae67580584Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-05dl-9105600000-da684da1fc185f1b46b1Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0109000000-6c9c5385ecb1bff25d8cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-1914000000-10e6b649471cc9492213Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-06ri-9350000000-df114e727b126242ea4dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0029000000-55b574978391dfd6ae2fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001j-1195000000-e176743a3b642da05804Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0040-5190000000-9b2b400b2a85cd5df398Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0009000000-183bcb6ac115bb17c68aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0029000000-953276fefcb5eae03604Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-1091000000-d3b1b7f45c09dd40ab04Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0009000000-0c36e5a0f1ec6d49ad1bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0209000000-098009a65eecf498b3e2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03k9-7339000000-8afda55c39a1cf7ae420Not AvailableView Spectrum
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
225.0Log mg/kg[130:400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
527MagnetsElectrical & Electronic EquipmentNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
Pathways
1 pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)45.0747
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)76.1365
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)63.1357
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)99.0242
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)108.444
Click to view 3D structureMu-type opioid receptorP42866Mus musculusPredicted (SEA)53.0153
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)147.836
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)141.141
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)91.9399
Mas-related G-protein coupled receptor member X2 structureClick to view 3D structureMas-related G-protein coupled receptor member X2Q96LB1HumansPredicted (SEA)61.0338
Click to view 3D structureKappa-type opioid receptorP33534Mus musculusPredicted (SEA)79.4062
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)167.454
Click to view 3D structureKappa-type opioid receptorP34975Rattus norvegicusPredicted (SEA)156.243
Nociceptin receptor structureClick to view 3D structureNociceptin receptorP41146HumansPredicted (SEA)148.848
Click to view 3D structureMu-type opioid receptorP79350Bos taurusPredicted (SEA)15.5698
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)282.515
Click to view 3D structureNociceptin receptorP47748Cavia porcellusPredicted (SEA)35.9663
Click to view 3D structureOpioid receptor homologueA3QJX7Danio rerioPredicted (SEA)9.809
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)597.493
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)345.651
Mitogen-activated protein kinase 14 structureClick to view 3D structureMitogen-activated protein kinase 14Q16539HumansPredicted (SEA)1772.55
Tumor necrosis factor structureClick to view 3D structureTumor necrosis factorP01375HumansPredicted (SEA)114.75
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)670.749
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)3628.71
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)2856.52
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available