Fenoterol (CED0006026)

Record Information
Version1.0
Creation Date2016-05-25 18:26:35 UTC
Update Date2026-05-14 16:59:20 UTC
SynCED IDCED0006026
Secondary Accession Numbers
  • CHEM022277
Identification
Common NameFenoterol
ClassSmall Molecule
Description
Fenoterol is an organic compound with the chemical formula C17H21NO4 and an average molecular weight of 303.35 g/mol. Fenoterol belongs to the phenethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This compound acts as an agonist for three protein targets: the Beta-1 adrenergic receptor (ADRB1), Beta-2 adrenergic receptor (ADRB2), and Beta-3 adrenergic receptor (ADRB3). It is utilized in healthcare, pharmaceuticals, and veterinary products, specifically as a treatment for obstructive airway diseases and in gynecologicals. Fenoterol has been identified in ten recorded sources across various categories. Within household cleaning and consumer products, it is found in perfumes within detergents and soaps, tobacco pipes, tobacco smoke filters, cigar cigarettes, and non electric simulated smoking devices. It is also present in electrical and electronic equipment, including television systems and electrically stimulated smoking devices. Additionally, the compound has been detected in drinking water and water supply. Recorded routes of exposure for fenoterol include respiratory and oral pathways.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
1-(3,5-Dihydroxyphenyl)-1-hydroxy-2-((4-hydroxyphenyl)isopropylamino)ethaneChEBI
1-(p-Hydroxyphenyl)-2-((beta-hydroxy-beta-(3',5'-dihydroxyphenyl))ethyl)aminopropaneChEBI
3,5-Dihydroxy-alpha-(((p-hydroxy-alpha-methylphenethyl)amino)methyl)benzyl alcoholChEBI
5-{1-hydroxy-2-[2-(4-hydroxy-phenyl)-1-methyl-ethylamino]-ethyl}-benzene-1,3-diolChEBI
FenoterolumChEBI
PhenoterolChEBI
1-(p-Hydroxyphenyl)-2-((b-hydroxy-b-(3',5'-dihydroxyphenyl))ethyl)aminopropaneGenerator
1-(p-Hydroxyphenyl)-2-((β-hydroxy-β-(3',5'-dihydroxyphenyl))ethyl)aminopropaneGenerator
3,5-Dihydroxy-a-(((p-hydroxy-a-methylphenethyl)amino)methyl)benzyl alcoholGenerator
3,5-Dihydroxy-α-(((p-hydroxy-α-methylphenethyl)amino)methyl)benzyl alcoholGenerator
Hydrochloride, fenoterolMeSH, HMDB
P Hydroxyphenyl orciprenalineMeSH, HMDB
P HydroxyphenylorciprenalineMeSH, HMDB
BerotekMeSH, HMDB
Fenoterol hydrochlorideMeSH, HMDB
P-HydroxyphenylorciprenalineMeSH, HMDB
PartusistenMeSH, HMDB
P-Hydroxyphenyl-orciprenalineMeSH, HMDB
BerotecMeSH, HMDB
Fenoterol hydrobromideMeSH, HMDB
Chemical FormulaC17H21NO4
Average Molecular Mass303.353 g/mol
Monoisotopic Mass303.147 g/mol
CAS Registry Number13392-18-2
IUPAC Name5-(1-hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,3-diol
Traditional Namefenoterol
SMILESCC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C1
InChI IdentifierInChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
InChI KeyLSLYOANBFKQKPT-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenethylamines
Direct ParentAmphetamines and derivatives
Alternative Parents
Substituents
  • Amphetamine or derivatives
  • Phenylpropane
  • Resorcinol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Aralkylamine
  • 1,2-aminoalcohol
  • Secondary alcohol
  • Secondary aliphatic amine
  • Secondary amine
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Amine
  • Aromatic alcohol
  • Alcohol
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
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 Properties
PropertyValueSource
Water Solubility0.16 g/LALOGPS
logP1.36ALOGPS
logP1.47ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)8.85ChemAxon
pKa (Strongest Basic)9.63ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area92.95 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity85 m³·mol⁻¹ChemAxon
Polarizability31.75 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-000i-2900000000-41b22ffada47796ccccaNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0a6r-2308190000-c77fb2b4e7b9cdb8c20cNot AvailableView Spectrum
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LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0009000000-7c86ed90b231db502424Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-cbe10ada4ea45a1c990bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-d901c2f8d4959edd3fb8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-5c754c51c284fa4a611fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-3900000000-8521f3088ff1f180cc5bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-d901c2f8d4959edd3fb8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0009000000-7c86ed90b231db502424Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-5c754c51c284fa4a611fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-cbe10ada4ea45a1c990bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-3900000000-07c5fc22f00b2eb285fcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-3900000000-8521f3088ff1f180cc5bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f79-0396000000-086dc7a4d7ce6130ea44Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0941000000-3e1c6336cef4d0812fa7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-2900000000-c1e1077ebcff871d7568Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0329000000-1d8f4d1c3466e313d320Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0944000000-78a68ffe7e65149f857aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4r-1900000000-f1eff58653fde12c7c63Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udr-0359000000-a74a466a51ff249dcc80Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f79-0950000000-fa3b4e5c68ec8caf3df1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-2900000000-7a5064ebeb8dcb66c260Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0009000000-23dcc9fd2d300d862c7eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udr-1914000000-3d48028210bc42e01a53Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0pdr-2910000000-a1355743fc4c80bcc1dcNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1282.0 Log mg/kg [720:2300]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 EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
CEDs000316Gynecologicals?Gynecologicals encompass a range of synthetic chemicals used in the treatment of various women's health issues, including hormonal therapies, contraceptives, and antifungal agents.Healthcare, pharmaceuticals & veterinary productsNot Available
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 EquipmentNot Available
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 EquipmentNot Available
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsNot Available
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 productsNot Available
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsNot Available
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 productsNot Available
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsNot Available
CEDs000579Manufacture Of Iron Or Steel?The manufacture of iron or steel involves various processes, including smelting, refining, and alloying, which can result in the release of synthetic chemicals and contaminants.Industrial manufacturing & chemical processingNot Available
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 processingNot Available
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsNot Available
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsNot Available
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsNot Available
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsNot Available
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsNot Available
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsNot Available
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsNot Available
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 & furnishingsNot Available
CEDs000651Purses Money Bags Wallets?Purses, money bags, and wallets are often manufactured using synthetic materials, including plastics, polyurethanes, and various treated fabrics.Textiles, leather & furnishingsNot Available
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionNot Available
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.Building & ConstructionNot Available
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingNot Available
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsNot Available
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
2 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)
Prediction Confidence Score
0.701
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
258
E-value
0.155698
Click to view 3D structureBeta-2 adrenergic receptorP10608Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.598
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
24
E-value
0.0778492
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.559
Applicability Domain
0.971
Statistical Significance
1.20e-04
Supporting Reference Compounds
48
E-value
0.934191
Click to view 3D structureBeta-1 adrenergic receptorP18090Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.454
Applicability Domain
0.587
Statistical Significance
2.60e-04
Supporting Reference Compounds
43
E-value
2.02408
Beta-3 adrenergic receptor structureClick to view 3D structureBeta-3 adrenergic receptorP13945HumansPredicted (SEA)
Prediction Confidence Score
0.439
Applicability Domain
0.473
Statistical Significance
0.001
Supporting Reference Compounds
145
E-value
7.94062
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)
Prediction Confidence Score
0.439
Applicability Domain
0.473
Statistical Significance
0.0012
Supporting Reference Compounds
180
E-value
9.73115
Click to view 3D structureBeta-2 adrenergic receptorQ28044Bos taurusPredicted (SEA)
Prediction Confidence Score
0.425
Applicability Domain
0.526
Statistical Significance
2.40e-04
Supporting Reference Compounds
16
E-value
1.86838
High affinity choline transporter 1 structureClick to view 3D structureHigh affinity choline transporter 1Q9GZV3HumansPredicted (SEA)
Prediction Confidence Score
0.425
Applicability Domain
0.971
Statistical Significance
8.50e-04
Supporting Reference Compounds
75
E-value
6.61718
Click to view 3D structureTaste receptor type 2 member 50P59544HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 45P59539HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 42Q7RTR8HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 41P59536HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 7Q9NYW3HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 30P59541HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 60P59551HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 19P59542HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 20P59543HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 1Q9NYW7HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 40P59535HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 3Q9NYW6HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 13Q9NYV9HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 39P59534HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 5Q9NYW4HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 9Q9NYW1HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureTaste receptor type 2 member 43P59537HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Concentrations
Not Available
External Links
DrugBank IDDB01288
HMDB IDHMDB0259478
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkFenoterol
Chemspider ID3226
ChEBI ID149226
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available