Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:52 UTC
Update Date2022-03-07 02:51:58 UTC
HMDB IDHMDB0015405
Secondary Accession Numbers
  • HMDB15405
Metabolite Identification
Common NameFenoterol
DescriptionFenoterol is only found in individuals that have used or taken this drug. It is an adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic. [PubChem]Beta(2)-receptor stimulation by fenoterol in the lung causes relaxation of bronchial smooth muscle, bronchodilation, and increased bronchial airflow.
Structure
Data?1582753293
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 Weight303.3529
Monoisotopic Molecular Weight303.147058165
IUPAC Name5-(1-hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,3-diol
Traditional Namefenoterol
CAS Registry Number13392-18-2
SMILES
CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C1
InChI Identifier
InChI=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
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.16 g/LNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available170.001http://allccs.zhulab.cn/database/detail?ID=AllCCS00000832
Predicted Molecular 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
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+171.7431661259
DarkChem[M-H]-174.47931661259
DeepCCS[M+H]+174.14530932474
DeepCCS[M-H]-171.78730932474
DeepCCS[M-2H]-204.67330932474
DeepCCS[M+Na]+180.23830932474
AllCCS[M+H]+174.932859911
AllCCS[M+H-H2O]+171.532859911
AllCCS[M+NH4]+178.032859911
AllCCS[M+Na]+178.932859911
AllCCS[M-H]-174.132859911
AllCCS[M+Na-2H]-174.232859911
AllCCS[M+HCOO]-174.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
FenoterolCC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C14565.2Standard polar33892256
FenoterolCC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C12811.3Standard non polar33892256
FenoterolCC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C13102.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Fenoterol,1TMS,isomer #1CC(CC1=CC=C(O[Si](C)(C)C)C=C1)NCC(O)C1=CC(O)=CC(O)=C12936.1Semi standard non polar33892256
Fenoterol,1TMS,isomer #2CC(CC1=CC=C(O)C=C1)NCC(O[Si](C)(C)C)C1=CC(O)=CC(O)=C12953.6Semi standard non polar33892256
Fenoterol,1TMS,isomer #3CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O[Si](C)(C)C)=C12899.7Semi standard non polar33892256
Fenoterol,1TMS,isomer #4CC(CC1=CC=C(O)C=C1)N(CC(O)C1=CC(O)=CC(O)=C1)[Si](C)(C)C3049.2Semi standard non polar33892256
Fenoterol,2TMS,isomer #1CC(CC1=CC=C(O[Si](C)(C)C)C=C1)NCC(O[Si](C)(C)C)C1=CC(O)=CC(O)=C12929.8Semi standard non polar33892256
Fenoterol,2TMS,isomer #2CC(CC1=CC=C(O[Si](C)(C)C)C=C1)NCC(O)C1=CC(O)=CC(O[Si](C)(C)C)=C12870.3Semi standard non polar33892256
Fenoterol,2TMS,isomer #3CC(CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC(O)C1=CC(O)=CC(O)=C1)[Si](C)(C)C3008.4Semi standard non polar33892256
Fenoterol,2TMS,isomer #4CC(CC1=CC=C(O)C=C1)NCC(O[Si](C)(C)C)C1=CC(O)=CC(O[Si](C)(C)C)=C12890.6Semi standard non polar33892256
Fenoterol,2TMS,isomer #5CC(CC1=CC=C(O)C=C1)N(CC(O[Si](C)(C)C)C1=CC(O)=CC(O)=C1)[Si](C)(C)C3038.6Semi standard non polar33892256
Fenoterol,2TMS,isomer #6CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C12835.7Semi standard non polar33892256
Fenoterol,2TMS,isomer #7CC(CC1=CC=C(O)C=C1)N(CC(O)C1=CC(O)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C3004.2Semi standard non polar33892256
Fenoterol,3TMS,isomer #1CC(CC1=CC=C(O[Si](C)(C)C)C=C1)NCC(O[Si](C)(C)C)C1=CC(O)=CC(O[Si](C)(C)C)=C12782.6Semi standard non polar33892256
Fenoterol,3TMS,isomer #2CC(CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC(O[Si](C)(C)C)C1=CC(O)=CC(O)=C1)[Si](C)(C)C2986.0Semi standard non polar33892256
Fenoterol,3TMS,isomer #3CC(CC1=CC=C(O[Si](C)(C)C)C=C1)NCC(O)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C12813.3Semi standard non polar33892256
Fenoterol,3TMS,isomer #4CC(CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC(O)C1=CC(O)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C2944.3Semi standard non polar33892256
Fenoterol,3TMS,isomer #5CC(CC1=CC=C(O)C=C1)NCC(O[Si](C)(C)C)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C12762.0Semi standard non polar33892256
Fenoterol,3TMS,isomer #6CC(CC1=CC=C(O)C=C1)N(CC(O[Si](C)(C)C)C1=CC(O)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C2959.4Semi standard non polar33892256
Fenoterol,3TMS,isomer #7CC(CC1=CC=C(O)C=C1)N(CC(O)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C2940.6Semi standard non polar33892256
Fenoterol,4TMS,isomer #1CC(CC1=CC=C(O[Si](C)(C)C)C=C1)NCC(O[Si](C)(C)C)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C12708.2Semi standard non polar33892256
Fenoterol,4TMS,isomer #2CC(CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC(O[Si](C)(C)C)C1=CC(O)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C2939.6Semi standard non polar33892256
Fenoterol,4TMS,isomer #3CC(CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC(O)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C2955.9Semi standard non polar33892256
Fenoterol,4TMS,isomer #4CC(CC1=CC=C(O)C=C1)N(CC(O[Si](C)(C)C)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C2933.0Semi standard non polar33892256
Fenoterol,5TMS,isomer #1CC(CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC(O[Si](C)(C)C)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C2930.6Semi standard non polar33892256
Fenoterol,5TMS,isomer #1CC(CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC(O[Si](C)(C)C)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C2690.7Standard non polar33892256
Fenoterol,5TMS,isomer #1CC(CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC(O[Si](C)(C)C)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C2896.1Standard polar33892256
Fenoterol,1TBDMS,isomer #1CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NCC(O)C1=CC(O)=CC(O)=C13199.7Semi standard non polar33892256
Fenoterol,1TBDMS,isomer #2CC(CC1=CC=C(O)C=C1)NCC(O[Si](C)(C)C(C)(C)C)C1=CC(O)=CC(O)=C13213.2Semi standard non polar33892256
Fenoterol,1TBDMS,isomer #3CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C13170.8Semi standard non polar33892256
Fenoterol,1TBDMS,isomer #4CC(CC1=CC=C(O)C=C1)N(CC(O)C1=CC(O)=CC(O)=C1)[Si](C)(C)C(C)(C)C3325.1Semi standard non polar33892256
Fenoterol,2TBDMS,isomer #1CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NCC(O[Si](C)(C)C(C)(C)C)C1=CC(O)=CC(O)=C13432.5Semi standard non polar33892256
Fenoterol,2TBDMS,isomer #2CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NCC(O)C1=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C13395.6Semi standard non polar33892256
Fenoterol,2TBDMS,isomer #3CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(CC(O)C1=CC(O)=CC(O)=C1)[Si](C)(C)C(C)(C)C3553.3Semi standard non polar33892256
Fenoterol,2TBDMS,isomer #4CC(CC1=CC=C(O)C=C1)NCC(O[Si](C)(C)C(C)(C)C)C1=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C13375.4Semi standard non polar33892256
Fenoterol,2TBDMS,isomer #5CC(CC1=CC=C(O)C=C1)N(CC(O[Si](C)(C)C(C)(C)C)C1=CC(O)=CC(O)=C1)[Si](C)(C)C(C)(C)C3575.8Semi standard non polar33892256
Fenoterol,2TBDMS,isomer #6CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C13356.4Semi standard non polar33892256
Fenoterol,2TBDMS,isomer #7CC(CC1=CC=C(O)C=C1)N(CC(O)C1=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C3514.4Semi standard non polar33892256
Fenoterol,3TBDMS,isomer #1CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NCC(O[Si](C)(C)C(C)(C)C)C1=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C13535.7Semi standard non polar33892256
Fenoterol,3TBDMS,isomer #2CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(CC(O[Si](C)(C)C(C)(C)C)C1=CC(O)=CC(O)=C1)[Si](C)(C)C(C)(C)C3736.5Semi standard non polar33892256
Fenoterol,3TBDMS,isomer #3CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NCC(O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C13573.2Semi standard non polar33892256
Fenoterol,3TBDMS,isomer #4CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(CC(O)C1=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C3706.8Semi standard non polar33892256
Fenoterol,3TBDMS,isomer #5CC(CC1=CC=C(O)C=C1)NCC(O[Si](C)(C)C(C)(C)C)C1=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C13450.3Semi standard non polar33892256
Fenoterol,3TBDMS,isomer #6CC(CC1=CC=C(O)C=C1)N(CC(O[Si](C)(C)C(C)(C)C)C1=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C3692.9Semi standard non polar33892256
Fenoterol,3TBDMS,isomer #7CC(CC1=CC=C(O)C=C1)N(CC(O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C3643.6Semi standard non polar33892256
Fenoterol,4TBDMS,isomer #1CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NCC(O[Si](C)(C)C(C)(C)C)C1=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C13708.5Semi standard non polar33892256
Fenoterol,4TBDMS,isomer #2CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(CC(O[Si](C)(C)C(C)(C)C)C1=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C3900.2Semi standard non polar33892256
Fenoterol,4TBDMS,isomer #3CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(CC(O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C3909.9Semi standard non polar33892256
Fenoterol,4TBDMS,isomer #4CC(CC1=CC=C(O)C=C1)N(CC(O[Si](C)(C)C(C)(C)C)C1=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C3816.6Semi standard non polar33892256
Fenoterol,5TBDMS,isomer #1CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(CC(O[Si](C)(C)C(C)(C)C)C1=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C4060.5Semi standard non polar33892256
Fenoterol,5TBDMS,isomer #1CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(CC(O[Si](C)(C)C(C)(C)C)C1=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C3562.5Standard non polar33892256
Fenoterol,5TBDMS,isomer #1CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(CC(O[Si](C)(C)C(C)(C)C)C1=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C3299.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (Non-derivatized) - 70eV, Positivesplash10-000i-2900000000-41b22ffada47796cccca2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (4 TMS) - 70eV, Positivesplash10-0a6r-2308190000-c77fb2b4e7b9cdb8c20c2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_3_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_4_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fenoterol GC-MS (TMS_4_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Fenoterol LC-ESI-QTOF , positive-QTOFsplash10-0udi-0009000000-7c86ed90b231db5024242017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Fenoterol LC-ESI-QTOF , positive-QTOFsplash10-000i-0900000000-cbe10ada4ea45a1c990b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Fenoterol LC-ESI-QTOF , positive-QTOFsplash10-0a4i-0900000000-d901c2f8d4959edd3fb82017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Fenoterol LC-ESI-QTOF , positive-QTOFsplash10-0a4i-0900000000-5c754c51c284fa4a611f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Fenoterol LC-ESI-QTOF , positive-QTOFsplash10-0a4i-3900000000-8521f3088ff1f180cc5b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Fenoterol 30V, Positive-QTOFsplash10-0a4i-0900000000-d901c2f8d4959edd3fb82021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Fenoterol 10V, Positive-QTOFsplash10-0udi-0009000000-7c86ed90b231db5024242021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Fenoterol 40V, Positive-QTOFsplash10-0a4i-0900000000-5c754c51c284fa4a611f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Fenoterol 20V, Positive-QTOFsplash10-000i-0900000000-cbe10ada4ea45a1c990b2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Fenoterol 50V, Positive-QTOFsplash10-0a4i-3900000000-07c5fc22f00b2eb285fc2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Fenoterol 50V, Positive-QTOFsplash10-0a4i-3900000000-8521f3088ff1f180cc5b2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenoterol 10V, Positive-QTOFsplash10-0f79-0396000000-086dc7a4d7ce6130ea442016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenoterol 20V, Positive-QTOFsplash10-000i-0941000000-3e1c6336cef4d0812fa72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenoterol 40V, Positive-QTOFsplash10-000i-2900000000-c1e1077ebcff871d75682016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenoterol 10V, Negative-QTOFsplash10-0udi-0329000000-1d8f4d1c3466e313d3202016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenoterol 20V, Negative-QTOFsplash10-0udi-0944000000-78a68ffe7e65149f857a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenoterol 40V, Negative-QTOFsplash10-0a4r-1900000000-f1eff58653fde12c7c632016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenoterol 10V, Positive-QTOFsplash10-0udr-0359000000-a74a466a51ff249dcc802021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenoterol 20V, Positive-QTOFsplash10-0f79-0950000000-fa3b4e5c68ec8caf3df12021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenoterol 40V, Positive-QTOFsplash10-0a4i-2900000000-7a5064ebeb8dcb66c2602021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenoterol 10V, Negative-QTOFsplash10-0udi-0009000000-23dcc9fd2d300d862c7e2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenoterol 20V, Negative-QTOFsplash10-0udr-1914000000-3d48028210bc42e01a532021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fenoterol 40V, Negative-QTOFsplash10-0pdr-2910000000-a1355743fc4c80bcc1dc2021-10-11Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01288 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01288 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB01288
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID3226
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkFenoterol
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID149226
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
Beta-adrenergic receptors mediate the catecholamine- induced activation of adenylate cyclase through the action of G proteins. This receptor binds epinephrine and norepinephrine with approximately equal affinity
Gene Name:
ADRB1
Uniprot ID:
P08588
Molecular weight:
51322.1
References
  1. Hoffmann C, Leitz MR, Oberdorf-Maass S, Lohse MJ, Klotz KN: Comparative pharmacology of human beta-adrenergic receptor subtypes--characterization of stably transfected receptors in CHO cells. Naunyn Schmiedebergs Arch Pharmacol. 2004 Feb;369(2):151-9. Epub 2004 Jan 17. [PubMed:14730417 ]
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
Beta-adrenergic receptors mediate the catecholamine- induced activation of adenylate cyclase through the action of G proteins. The beta-2-adrenergic receptor binds epinephrine with an approximately 30-fold greater affinity than it does norepinephrine
Gene Name:
ADRB2
Uniprot ID:
P07550
Molecular weight:
46458.3
References
  1. de Vries B, Roffel AF, Zaagsma J, Meurs H: Effect of fenoterol-induced constitutive beta(2)-adrenoceptor activity on contractile receptor function in airway smooth muscle. Eur J Pharmacol. 2001 Nov 23;431(3):353-9. [PubMed:11730729 ]
  2. Boterman M, Smits SR, Meurs H, Zaagsma J: Protein kinase C potentiates homologous desensitization of the beta2-adrenoceptor in bovine tracheal smooth muscle. Eur J Pharmacol. 2006 Jan 4;529(1-3):151-6. Epub 2005 Dec 1. [PubMed:16324695 ]
  3. Marone G, Ambrosio G, Bonaduce D, Genovese A, Triggiani M, Condorelli M: Inhibition of IgE-mediated histamine release from human basophils and mast cells by fenoterol. Int Arch Allergy Appl Immunol. 1984;74(4):356-61. [PubMed:6203844 ]
  4. Coqueret O, Demarquay D, Lagente V: Role of cyclic AMP in the modulation of IgE production by the beta 2-adrenoceptor agonist, fenoterol. Eur Respir J. 1996 Feb;9(2):220-5. [PubMed:8777955 ]
  5. Bouillon T, Meineke I, Port R, Hildebrandt R, Gunther K, Gundert-Remy U: Concentration-effect relationship of the positive chronotropic and hypokalaemic effects of fenoterol in healthy women of childbearing age. Eur J Clin Pharmacol. 1996;51(2):153-60. [PubMed:8911881 ]
  6. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
Beta-adrenergic receptors mediate the catecholamine- induced activation of adenylate cyclase through the action of G proteins. Beta-3 is involved in the regulation of lipolysis and thermogenesis
Gene Name:
ADRB3
Uniprot ID:
P13945
Molecular weight:
43518.6
References
  1. Hoffmann C, Leitz MR, Oberdorf-Maass S, Lohse MJ, Klotz KN: Comparative pharmacology of human beta-adrenergic receptor subtypes--characterization of stably transfected receptors in CHO cells. Naunyn Schmiedebergs Arch Pharmacol. 2004 Feb;369(2):151-9. Epub 2004 Jan 17. [PubMed:14730417 ]