Suvorexant (CED0006580)

Record Information
Version1.0
Creation Date2026-04-05 10:43:44 UTC
Update Date2026-08-22 00:06:10 UTC
Accession NumberCHEM099432
Identification
Common NameSuvorexant
ClassSmall Molecule
Description
Suvorexant is an organic compound with the formula C23H23ClN6O2 and an average molecular weight of 450.93 g/mol. Suvorexant belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. This compound is recorded as a source in healthcare, pharmaceuticals, and veterinary products, specifically categorized as a hypnotic and sedative. Its recorded route of exposure is oral. In terms of biological activity, suvorexant acts on two protein targets as an antagonist of Orexin receptor type 2 (HCRTR2) and Orexin/Hypocretin receptor type 1 (HCRTR1).
Contaminant Type
  • Human Neurotoxin
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC23H23ClN6O2
Average Molecular Mass450.930 g/mol
Monoisotopic Mass450.157 g/mol
CAS Registry Number1030377-33-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESC[C@@H]1CCN(CCN1C(=O)C1=C(C=CC(C)=C1)N1N=CC=N1)C1=NC2=C(O1)C=CC(Cl)=C2
InChI IdentifierInChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
InChI KeyJYTNQNCOQXFQPK-MRXNPFEDSA-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 LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0fmi-5002900000-cae9cf7b2acc0dee600aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0il0-3868900000-35ea39ef99e0f33458d5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00u2-3294000000-5eac420b644def64ebe5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0001900000-d1a91f8e8d0609ee366eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kb-4302900000-582799751f9abfb170d6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-9301000000-0ee53b510e1b12fd63abNot 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
1166.0Log mg/kg[660:2100]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
376Hypnotics and sedativesHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
1 pathway
Suvorexant Drug Metabolism Action Pathway
Suvorexant Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Orexin/Hypocretin receptor type 1 structureClick to view 3D structureOrexin/Hypocretin receptor type 1O43613HumansPredicted (SEA)16.1926
Orexin receptor type 2 structureClick to view 3D structureOrexin receptor type 2O43614HumansPredicted (SEA)10.6653
Click to view 3D structureOrexin receptor type 2P56719Rattus norvegicusPredicted (SEA)10.2761
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)1428.61
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)1560.64
Click to view 3D structureOrexin/Hypocretin receptor type 1P56718Rattus norvegicusPredicted (SEA)19.3845
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)2253.11
Histamine H4 receptor structureClick to view 3D structureHistamine H4 receptorQ9H3N8HumansPredicted (SEA)394.228
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)3777.01
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)3334.2
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)1808.2
Chitinase-3-like protein 1 structureClick to view 3D structureChitinase-3-like protein 1P36222HumansPredicted (SEA)26.0795
Acidic mammalian chitinase structureClick to view 3D structureAcidic mammalian chitinaseQ9BZP6HumansPredicted (SEA)30.9061
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)4182.14
5-hydroxytryptamine receptor 3A structureClick to view 3D structure5-hydroxytryptamine receptor 3AP46098HumansPredicted (SEA)832.597
A disintegrin and metalloproteinase with thrombospondin motifs 5 structureClick to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 5Q9UNA0HumansPredicted (SEA)266.711
Disintegrin and metalloproteinase domain-containing protein 17 structureClick to view 3D structureDisintegrin and metalloproteinase domain-containing protein 17P78536HumansPredicted (SEA)928.663
Serine/threonine-protein kinase mTOR structureClick to view 3D structureSerine/threonine-protein kinase mTORP42345HumansPredicted (SEA)1758.93
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)159.357
Click to view 3D structureP2X purinoceptor 7Q99572HumansPredicted (SEA)211.983
Click to view 3D structureP2X purinoceptor 7Q64663Rattus norvegicusPredicted (SEA)65.3155
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)1331.14
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)3353.36
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)2865.79
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)3163.09
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available