(1r,9r,10r)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol (CED0279413)

Record Information
Version1.0
Creation Date2026-08-30 08:53:25 UTC
Update Date2026-08-30 08:53:25 UTC
Accession NumberCHEM324731
Identification
Common Name(1r,9r,10r)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
ClassSmall Molecule
Description
(1r,9r,10r)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol is a chemical compound with the formula C21H29NO. It has an average molecular weight of 311.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H29NO
Average Molecular MassNot Available
Monoisotopic Mass311.225 g/mol
CAS Registry Number4163-26-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)O)CC5CCC5
InChI IdentifierInChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
InChI KeyYSTAPDGDOHWKQR-CEWLAPEOSA-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
720.0Log mg/kg[400:1300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
685CeramicsBuilding & ConstructionNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)21.9535
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)24.1333
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)21.0193
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)19.5402
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)21.7978
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP42866Mus musculusPredicted (SEA)43.1285
Click to view 3D structureKappa-type opioid receptorP33534Mus musculusPredicted (SEA)31.2954
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)52.9375
Click to view 3D structureMuscarinic acetylcholine receptor M2P10980Rattus norvegicusPredicted (SEA)8.01847
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)41.0265
Click to view 3D structureSigma intracellular receptor 2Q5BJF2HumansPredicted (SEA)23.1991
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)154.764
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)106.42
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)23.4326
Click to view 3D structureG_PROTEIN_RECEP_F1_2 domain-containing proteinF7HEV7Macaca mulattaPredicted (SEA)3.73676
Click to view 3D structureKappa-type opioid receptorH9FL65Macaca mulattaPredicted (SEA)3.73676
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)171.113
Solute carrier family 22 member 1 structureClick to view 3D structureSolute carrier family 22 member 1O15245HumansPredicted (SEA)0.622794
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)63.1357
Click to view 3D structureG_PROTEIN_RECEP_F1_2 domain-containing proteinA0A286XTF2Cavia porcellusPredicted (SEA)2.88042
Mas-related G-protein coupled receptor member X2 structureClick to view 3D structureMas-related G-protein coupled receptor member X2Q96LB1HumansPredicted (SEA)73.6454
Click to view 3D structureSigma non-opioid intracellular receptor 1O55242Mus musculusPredicted (SEA)1.24559
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)166.597
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)183.724
Click to view 3D structureSigma intracellular receptor 2Q5U3Y7Rattus norvegicusPredicted (SEA)101.282
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available