Olodaterol (CED0008294)

Record Information
Version1.0
Creation Date2026-04-06 04:19:21 UTC
Update Date2026-08-21 19:22:54 UTC
SynCED IDCED0008294
Secondary Accession Numbers
  • CHEM117475
Identification
Common NameOlodaterol
ClassSmall Molecule
Description
Olodaterol is an organic compound with the formula C21H26N2O5 and an average molecular weight of 386.45 g/mol. Olodaterol belongs to the benzoxazinones, a subclass of benzoxazines within the organic compounds. It is categorized as an organoheterocyclic compound. In terms of biological activity, olodaterol acts as an agonist of the Beta-2 adrenergic receptor (ADRB2). The compound is found in or released from three recorded sources, including healthcare, pharmaceuticals, and veterinary products specifically as drugs for obstructive airway diseases, as well as household cleaning and consumer products such as tobacco pipes and pipe accessories. The recorded route of exposure for this substance is respiratory.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H26N2O5
Average Molecular Mass386.448 g/mol
Monoisotopic Mass386.184 g/mol
CAS Registry Number868049-49-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=CC=C(CC(C)(C)NC[C@H](O)C2=C3OCC(=O)NC3=CC(O)=C2)C=C1
InChI IdentifierInChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1
InChI KeyCOUYJEVMBVSIHV-SFHVURJKSA-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 Spectrumsplash10-014r-0119000000-5a0319d8d70510c99db8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-02tc-1988000000-38e6bd939e6ee058df68Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dl-1920000000-729e47eee88404abf947Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0209000000-788dec0164bdd4fe23c5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014r-3619000000-52cabaa05c927db658d6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dl-5901000000-ba6ade609c1946ee5822Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1074.0 Log mg/kg [600:1900]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000391Drugs for obstructive airway diseases?Drugs for obstructive airway diseases, such as bronchodilators and corticosteroids, are used to manage conditions like asthma and chronic obstructive pulmonary disease (COPD).Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsPubChem
CEDs000562Pipe Accessories?Pipe accessories, such as fittings, connectors, and seals, are components used in plumbing systems to facilitate the flow of liquids and gases.Household cleaning & consumer productsPubChem
CEDs000566Tobacco Pipes?Tobacco pipes, often made from materials such as plastic, wood, or metal, can serve as sources of synthetic chemical contamination due to the residues left by tobacco products.Household cleaning & consumer productsPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000651Purses Money Bags Wallets?Purses, money bags, and wallets are often manufactured using synthetic materials, including plastics, polyurethanes, and various treated fabrics.Textiles, leather & furnishingsPubChem
Pathways
2 pathwaysPathway Source: PathBank
Olodaterol Action Pathway
Olodaterol Action Pathway
Olodaterol Drug Metabolism Action Pathway
Olodaterol Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)
Prediction Confidence Score
0.413
Applicability Domain
0.551
Statistical Significance
0.0022
Supporting Reference Compounds
258
E-value
17.2825
Extracellular calcium-sensing receptor structureClick to view 3D structureExtracellular calcium-sensing receptorP41180HumansPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.397
Statistical Significance
3.40e-04
Supporting Reference Compounds
18
E-value
2.64687
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.551
Statistical Significance
0.0033
Supporting Reference Compounds
180
E-value
25.3788
Beta-3 adrenergic receptor structureClick to view 3D structureBeta-3 adrenergic receptorP13945HumansPredicted (SEA)
Prediction Confidence Score
0.342
Applicability Domain
0.397
Statistical Significance
0.0027
Supporting Reference Compounds
145
E-value
20.9414
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.397
Statistical Significance
0.0501
Supporting Reference Compounds
1130
E-value
389.869
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.397
Statistical Significance
0.0285
Supporting Reference Compounds
593
E-value
221.792
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.397
Statistical Significance
0.0987
Supporting Reference Compounds
1498
E-value
768.06
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.397
Statistical Significance
0.0234
Supporting Reference Compounds
506
E-value
182.401
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.397
Statistical Significance
0.0263
Supporting Reference Compounds
451
E-value
204.977
Inward rectifier potassium channel 2 structureClick to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.265 Low confidence
Statistical Significance
0.0092
Supporting Reference Compounds
1
E-value
71.6991
Click to view 3D structureExtracellular calcium-sensing receptorP35384Bos taurusPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.264 Low confidence
Statistical Significance
9.90e-04
Supporting Reference Compounds
1
E-value
7.70707
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.3
Statistical Significance
0.2169
Supporting Reference Compounds
1103
E-value
1688.86
Sodium/iodide cotransporter structureClick to view 3D structureSodium/iodide cotransporterQ63008Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.263 Low confidence
Statistical Significance
0.0049
Supporting Reference Compounds
1
E-value
38.3018
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.3
Statistical Significance
0.1845
Supporting Reference Compounds
861
E-value
1436.4
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.3
Statistical Significance
0.0056
Supporting Reference Compounds
48
E-value
43.5177
Click to view 3D structureBeta-1 adrenergic receptorB0FL73Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.3
Statistical Significance
0.0059
Supporting Reference Compounds
37
E-value
46.0089
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.27 Low confidence
Statistical Significance
0.026
Supporting Reference Compounds
88
E-value
202.719
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.293 Low confidence
Statistical Significance
0.2834
Supporting Reference Compounds
953
E-value
2206.64
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.27 Low confidence
Statistical Significance
0.0332
Supporting Reference Compounds
127
E-value
258.693
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.28 Low confidence
Statistical Significance
0.132
Supporting Reference Compounds
269
E-value
1027.3
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.28 Low confidence
Statistical Significance
0.1259
Supporting Reference Compounds
258
E-value
980.122
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.28 Low confidence
Statistical Significance
0.1528
Supporting Reference Compounds
292
E-value
1189.93
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.293 Low confidence
Statistical Significance
0.1173
Supporting Reference Compounds
297
E-value
913.405
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.243
Applicability Domain
0.257 Low confidence
Statistical Significance
0.4318
Supporting Reference Compounds
793
E-value
3361.37
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.243
Applicability Domain
0.272 Low confidence
Statistical Significance
0.3642
Supporting Reference Compounds
955
E-value
2835.19
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available