Ospemifene (CED0010391)

Record Information
Version1.0
Creation Date2026-04-05 11:20:28 UTC
Update Date2026-08-22 03:06:55 UTC
Accession NumberCHEM099908
Identification
Common NameOspemifene
ClassSmall Molecule
Description
Ospemifene is an organic compound with the formula C24H23ClO2 and an average molecular weight of 378.90 g/mol. Ospemifene belongs to the stilbenes, a class of phenylpropanoids and polyketides within the organic compounds. It is utilized in healthcare, pharmaceuticals, and veterinary products as a sex hormone and modulator of the genital system, with oral exposure being the recorded route. Regarding its pharmacological activity, it acts as both an agonist and antagonist of the Estrogen receptor (ESR1).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC24H23ClO2
Average Molecular Mass378.900 g/mol
Monoisotopic Mass378.139 g/mol
CAS Registry Number128607-22-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESOCCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1
InChI IdentifierInChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-
InChI KeyLUMKVTFCDUIE-VHXPQNKSSA-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
2676.0Log mg/kg[1500:4800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
325Sex hormones and modulators of the genital systemHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
1 pathway
Ospemifene Drug Metabolism Action Pathway
Ospemifene Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Estrogen-related receptor gamma structureClick to view 3D structureEstrogen-related receptor gammaP62508HumansPredicted (SEA)0.700643
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)3.58106
Steroid hormone receptor ERR1 structureClick to view 3D structureSteroid hormone receptor ERR1P11474HumansPredicted (SEA)0.856341
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)27.9479
Steroid hormone receptor ERR2 structureClick to view 3D structureSteroid hormone receptor ERR2O95718HumansPredicted (SEA)1.01204
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)10.0426
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)210.66
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)203.965
Envelope glycoprotein structureClick to view 3D structureEnvelope glycoproteinQ05320Zaire ebolavirus (strain Mayinga-76)Predicted (SEA)0.0778492
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)142.853
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)85.5563
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)215.798
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)264.22
Click to view 3D structureC-8 sterol isomerase ERG2P32352Baker's yeastPredicted (SEA)1.40129
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase structureClick to view 3D structure3-beta-hydroxysteroid-Delta(8),Delta(7)-isomeraseQ15125HumansPredicted (SEA)3.19182
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)43.5956
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)125.026
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)124.714
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)230.589
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)71.8548
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)214.63
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)34.4872
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)29.0378
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)60.411
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)52.7818
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available