(5A,6a)-17-(cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride (CED0104722)

Record Information
Version1.0
Creation Date2026-04-05 20:11:05 UTC
Update Date2026-04-05 20:11:05 UTC
Accession NumberCHEM108347
Identification
Common Name(5A,6a)-17-(cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride
ClassSmall Molecule
Description
(5A,6a)-17-(cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride belongs to the phenanthrenes and derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C21H28ClNO4. It has been identified in or released from one recorded source: electrical and electronic equipment, specifically antennas.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H28ClNO4
Average Molecular MassNot Available
Monoisotopic Mass393.171 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C21H27NO4.ClH/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12;/h4-5,12,15-16,19,23-25H,1-3,6-11H2;1H
InChI KeyYZLZPSJXMWGIFH-BCXQGASESA-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
261.0Log mg/kg[150:460]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
506AntennasElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)13.935
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)10.5096
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)15.3363
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)14.7914
Click to view 3D structureMu-type opioid receptorP42866Mus musculusPredicted (SEA)5.29375
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)18.2946
Click to view 3D structureKappa-type opioid receptorP33534Mus musculusPredicted (SEA)4.43741
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)21.7199
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)13.7015
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)21.0971
Click to view 3D structureKappa-type opioid receptorP34975Rattus norvegicusPredicted (SEA)12.5337
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)49.59
Nociceptin receptor structureClick to view 3D structureNociceptin receptorP41146HumansPredicted (SEA)16.504
Orexin/Hypocretin receptor type 1 structureClick to view 3D structureOrexin/Hypocretin receptor type 1O43613HumansPredicted (SEA)2.72472
Click to view 3D structureMu-type opioid receptorP79350Bos taurusPredicted (SEA)1.16774
C-C chemokine receptor type 5 structureClick to view 3D structureC-C chemokine receptor type 5P51681HumansPredicted (SEA)13.0008
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)249.74
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)358.574
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)186.137
Click to view 3D structureC-C chemokine receptor type 5P61813Macaca mulattaPredicted (SEA)5.29375
Orexin receptor type 2 structureClick to view 3D structureOrexin receptor type 2O43614HumansPredicted (SEA)72.8669
C-X-C chemokine receptor type 4 structureClick to view 3D structureC-X-C chemokine receptor type 4P61073HumansPredicted (SEA)43.5956
Mas-related G-protein coupled receptor member X2 structureClick to view 3D structureMas-related G-protein coupled receptor member X2Q96LB1HumansPredicted (SEA)195.012
CX3C chemokine receptor 1 structureClick to view 3D structureCX3C chemokine receptor 1P49238HumansPredicted (SEA)33.0859
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)2815.49
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available