(1s,9s,10s)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene (CED0152306)

Record Information
Version1.0
Creation Date2026-08-20 01:06:35 UTC
Update Date2026-08-20 01:06:35 UTC
Accession NumberCHEM196768
Identification
Common Name(1s,9s,10s)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
ClassSmall Molecule
Description
(1s,9s,10s)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene belongs to the morphinans, a class of alkaloids and derivatives within the organic compounds. This compound has the chemical formula C18H25NO and an average molecular weight of 271.40 g/mol. The substance has been identified in or released from eight recorded sources across several categories. Within the realm of household cleaning and consumer products, it is found in other smoking requisites, tobacco product cases, and non electric simulated smoking devices. In the sector of electrical and electronic equipment, it is associated with X ray tubes and amplifiers. Additionally, the compound is linked to food, food processing and cookware, specifically in the preparation of vinegar and the preparation of wine or sparkling wine. It has also been recorded in building and construction materials, specifically in roofs.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC18H25NO
Average Molecular Mass271.400 g/mol
Monoisotopic Mass271.194 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
InChI KeyMKXZASYAUGDDCJ-NJAFHUGGSA-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
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0190000000-df99af2429c385c2ac44Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-1a3ed289b3e93cd6fde4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-ebc22884ca50d755e2e4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-63612671cfd5e7808f7eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-02mi-0490000000-10cc5d461942becb6194Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-022a-0930000000-943342d8d5a3ae45227fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-eb4c5442e33e6921c728Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-a39a4c295bd6e3b25181Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-5191ea197708a687222fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-3d90a3bd5c1b6788ed43Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-02mi-0490000000-ddc598f28e1a4f9008d1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-022a-0940000000-cbb4007ab43d33441b69Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dj-0900000000-457827e6b58fa1a77623Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0190000000-23c81d81c3ea162f7ab7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0090000000-25cdbb74a0783952c40eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0090000000-8062e3b60f2d8d6c78b9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0btc-3290000000-e2bedc154835e1c44dbcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0090000000-cdc95ffda5c8ab176bc0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0090000000-82ba173765c1d557ad82Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udl-0190000000-f4f99127c0b1de038b01Not AvailableView Spectrum
MSMS Spectrumsplash10-00di-5890000000-3009baa7e8a19f9be270Not 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
223.0Log mg/kg[130:400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
499RoofsBuilding & ConstructionNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
540X Ray TubesElectrical & Electronic EquipmentNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
634BucklesTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)9.10836
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)16.504
Mas-related G-protein coupled receptor member X2 structureClick to view 3D structureMas-related G-protein coupled receptor member X2Q96LB1HumansPredicted (SEA)12.6894
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)108.833
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)14.48
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)90.85
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)111.636
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)119.654
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)36.2777
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)125.882
Click to view 3D structureMuscarinic acetylcholine receptor M2P10980Rattus norvegicusPredicted (SEA)7.94062
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)79.6398
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)20.3186
Click to view 3D structureMu-type opioid receptorP42866Mus musculusPredicted (SEA)62.98
Solute carrier family 22 member 1 structureClick to view 3D structureSolute carrier family 22 member 1O15245HumansPredicted (SEA)0.311397
Click to view 3D structureSigma intracellular receptor 2Q5BJF2HumansPredicted (SEA)45.7753
Click to view 3D structureKappa-type opioid receptorP33534Mus musculusPredicted (SEA)82.1309
Click to view 3D structureCytochrome P450 2D26P10634Rattus norvegicusPredicted (SEA)0.311397
Click to view 3D structureAcetylcholinesteraseP36196Gallus gallusPredicted (SEA)2.17978
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)283.916
Click to view 3D structureSigma non-opioid intracellular receptor 1O55242Mus musculusPredicted (SEA)4.5931
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)270.993
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)300.187
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)381.928
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)816.327
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available