Mirabegron (CED0005661)

Record Information
Version1.0
Creation Date2026-04-06 04:19:16 UTC
Update Date2026-08-21 19:04:24 UTC
Accession NumberCHEM117474
Identification
Common NameMirabegron
ClassSmall Molecule
Description
Mirabegron is an organic compound with the formula C21H24N4O2S and an average molecular weight of 396.51 g/mol. Mirabegron belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. It is recorded as being found in or released from three sources: healthcare, pharmaceuticals & veterinary products (specifically urologicals), and electrical & electronic equipment, including line transmission systems and electric hearing aids. The recorded route of exposure for this compound is oral. At the molecular level, mirabegron interacts with two recorded protein targets, acting as an agonist of the Beta-1 adrenergic receptor (ADRB1) and the Beta-3 adrenergic receptor (ADRB3). Regarding its health effects, the compound has been noted for its therapeutic effect on pain (PMC11675006) and urinary incontinence (PMC11675006).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H24N4O2S
Average Molecular Mass396.510 g/mol
Monoisotopic Mass396.162 g/mol
CAS Registry Number223673-61-8
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H]OC([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])C2=C([H])SC(=N2)N([H])[H])C([H])=C1[H]
InChI IdentifierInChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1
InChI KeyPBAPPPCECJKMCM-IBGZPJMESA-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 Spectrumsplash10-0006-0309000000-1cc6f8012befa59c9ef3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004j-0429000000-a1fa6e47b60253c53578Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004j-0249000000-a8bb03340f9b4d3e34e8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-009l-0983000000-8530aab0958fcdaebb56Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dr-1910000000-231702612fe0c6a08345Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-1129000000-efb4b23eb13139451267Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004r-4697000000-a27a398d2c079a1ca163Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4l-9410000000-f19b82745cc2e8e0e272Not 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
855.0Log mg/kg[480:1500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
painhas_therapeutic_effect_onNot AvailablePMC11675006
urinary incontinencehas_therapeutic_effect_onNot AvailablePMC11675006
Exposure Sources
Source IDSourceSectorReference
326UrologicalsHealthcare, pharmaceuticals & veterinary productsNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
Pathways
2 pathways
Mirabegron Action Pathway
Mirabegron Action Pathway
Mirabegron Drug Metabolism Action Pathway
Mirabegron Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureBeta-3 adrenergic receptorO02662Canis lupus familiarisPredicted (SEA)0.934191
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)323.074
Click to view 3D structureBeta-3 adrenergic receptorQ28524Macaca mulattaPredicted (SEA)0.622794
Voltage-dependent L-type calcium channel subunit alpha-1C structureClick to view 3D structureVoltage-dependent L-type calcium channel subunit alpha-1CQ13936HumansPredicted (SEA)20.5522
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)645.604
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)1301.41
Click to view 3D structureGlutaminase liver isoform, mitochondrialQ571F8Mus musculusPredicted (SEA)10.0426
Click to view 3D structureBeta-3 adrenergic receptorP26255Rattus norvegicusPredicted (SEA)5.60514
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)653.778
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)23.6662
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)479.707
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)1851.02
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)473.168
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)697.451
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)565.497
Click to view 3D structureBeta-1 adrenergic receptorB0FL73Cavia porcellusPredicted (SEA)24.6782
Click to view 3D structureBeta-1 adrenergic receptorP34971Mus musculusPredicted (SEA)17.3604
Click to view 3D structureAlpha-1D adrenergic receptorP25100HumansPredicted (SEA)329.224
Histamine H2 receptor structureClick to view 3D structureHistamine H2 receptorP25021HumansPredicted (SEA)321.751
Neuronal calcium sensor 1 structureClick to view 3D structureNeuronal calcium sensor 1P62166HumansPredicted (SEA)23.1991
Click to view 3D structureFrequenin-2Q9VWX8Drosophila melanogasterPredicted (SEA)23.1991
Beta-3 adrenergic receptor structureClick to view 3D structureBeta-3 adrenergic receptorP13945HumansPredicted (SEA)8.09632
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)18.6838
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)20.3186
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)124.325
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available