Hmdb loader
Survey
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:51 UTC
Update Date2021-09-14 15:47:32 UTC
HMDB IDHMDB0015009
Secondary Accession Numbers
  • HMDB15009
Metabolite Identification
Common NameTerbutaline
DescriptionTerbutaline is only found in individuals that have used or taken this drug. It is a selective beta-2 adrenergic agonist used as a bronchodilator and tocolytic. [PubChem]The pharmacologic effects of terbutaline are at least in part attributable to stimulation through beta-adrenergic receptors of intracellular adenyl cyclase, the enzyme that catalyzes the conversion of adenosine triphosphate (ATP) to cyclic- 3',5'- adenosine monophosphate (c-AMP). Increased c-AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells.
Structure
Data?1582753247
Synonyms
ValueSource
TerbutalinaChEBI
TerbutalinumChEBI
AsthmasianKegg
TerbutalinHMDB
Terbutaline sulfateHMDB
Alpharma brand OF terbutaline sulfateHMDB
AsthmoprotectHMDB
AstraZeneca brand OF terbutaline sulfateHMDB
ButalitabHMDB
Kendrick brand OF terbutaline sulfateHMDB
TerbulHMDB
Terbutalin stadaHMDB
CT-Arzneimittel brand OF terbutaline sulfateHMDB
AstraZeneca brand OF terbutalineHMDB
BrethaireHMDB
BrethineHMDB
Hexal brand OF terbutaline sulfateHMDB
Hoechst brand OF terbutaline sulfateHMDB
Lagap brand OF terbutaline sulfateHMDB
Lindopharm brand OF terbutaline sulfateHMDB
MonoventHMDB
Novartis brand OF terbutaline sulfateHMDB
Stadapharm brand OF terbutaline sulfateHMDB
Terbutalin alHMDB
Terbutalin ratiopharmHMDB
Terbutalin-ratiopharmHMDB
Terbutaline astrazeneca brandHMDB
CT Arzneimittel brand OF terbutaline sulfateHMDB
Azupharma brand OF terbutaline sulfateHMDB
BricanylHMDB
Bricanyl saHMDB
ButaliretHMDB
ContimitHMDB
Dermapharm brand OF terbutaline sulfateHMDB
TedipulmoHMDB
TerbasminHMDB
Pharma-stern brand OF terbutaline sulfateHMDB
Ratiopharm brand OF terbutaline sulfateHMDB
Terbutalin von CTHMDB
Aliud brand OF terbutaline sulfateHMDB
ArubendolHMDB
Estedi brand OF terbutaline sulfateHMDB
Fatol brand OF terbutaline sulfateHMDB
TazikenHMDB
TerbuturmantHMDB
Chemical FormulaC12H19NO3
Average Molecular Weight225.2842
Monoisotopic Molecular Weight225.136493479
IUPAC Name5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol
Traditional Nameterbutaline
CAS Registry Number23031-25-6
SMILES
CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1
InChI Identifier
InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
InChI KeyXWTYSIMOBUGWOL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as resorcinols. Resorcinols are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassBenzenediols
Direct ParentResorcinols
Alternative Parents
Substituents
  • Resorcinol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Aralkylamine
  • Monocyclic benzene moiety
  • 1,2-aminoalcohol
  • Secondary alcohol
  • Secondary amine
  • Secondary aliphatic amine
  • Aromatic alcohol
  • Alcohol
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Amine
  • Organopnictogen compound
  • Hydrocarbon derivative
  • 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 Point119 - 122 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility5.84 g/LNot Available
LogP1.4Not Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+CBM154.930932474
[M+H]+Not Available153.916http://allccs.zhulab.cn/database/detail?ID=AllCCS00000825
Predicted Molecular Properties
PropertyValueSource
Water Solubility5.84 g/LALOGPS
logP0.55ALOGPS
logP0.44ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)8.86ChemAxon
pKa (Strongest Basic)9.76ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area72.72 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity63.04 m³·mol⁻¹ChemAxon
Polarizability24.78 ųChemAxon
Number of Rings1ChemAxon
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]+151.95231661259
DarkChem[M-H]-149.34131661259
DeepCCS[M+H]+153.86830932474
DeepCCS[M-H]-151.5130932474
DeepCCS[M-2H]-184.60230932474
DeepCCS[M+Na]+159.96130932474
AllCCS[M+H]+151.532859911
AllCCS[M+H-H2O]+147.832859911
AllCCS[M+NH4]+154.932859911
AllCCS[M+Na]+155.932859911
AllCCS[M-H]-154.132859911
AllCCS[M+Na-2H]-154.832859911
AllCCS[M+HCOO]-155.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
TerbutalineCC(C)(C)NCC(O)C1=CC(O)=CC(O)=C13374.9Standard polar33892256
TerbutalineCC(C)(C)NCC(O)C1=CC(O)=CC(O)=C11946.6Standard non polar33892256
TerbutalineCC(C)(C)NCC(O)C1=CC(O)=CC(O)=C12121.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Terbutaline,1TMS,isomer #1CC(C)(C)NCC(O[Si](C)(C)C)C1=CC(O)=CC(O)=C12062.1Semi standard non polar33892256
Terbutaline,1TMS,isomer #2CC(C)(C)NCC(O)C1=CC(O)=CC(O[Si](C)(C)C)=C12056.3Semi standard non polar33892256
Terbutaline,1TMS,isomer #3CC(C)(C)N(CC(O)C1=CC(O)=CC(O)=C1)[Si](C)(C)C2228.3Semi standard non polar33892256
Terbutaline,2TMS,isomer #1CC(C)(C)NCC(O[Si](C)(C)C)C1=CC(O)=CC(O[Si](C)(C)C)=C11959.3Semi standard non polar33892256
Terbutaline,2TMS,isomer #2CC(C)(C)N(CC(O[Si](C)(C)C)C1=CC(O)=CC(O)=C1)[Si](C)(C)C2246.6Semi standard non polar33892256
Terbutaline,2TMS,isomer #3CC(C)(C)NCC(O)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C11975.5Semi standard non polar33892256
Terbutaline,2TMS,isomer #4CC(C)(C)N(CC(O)C1=CC(O)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C2169.8Semi standard non polar33892256
Terbutaline,3TMS,isomer #1CC(C)(C)NCC(O[Si](C)(C)C)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C11876.8Semi standard non polar33892256
Terbutaline,3TMS,isomer #2CC(C)(C)N(CC(O[Si](C)(C)C)C1=CC(O)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C2180.7Semi standard non polar33892256
Terbutaline,3TMS,isomer #3CC(C)(C)N(CC(O)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C2172.6Semi standard non polar33892256
Terbutaline,4TMS,isomer #1CC(C)(C)N(CC(O[Si](C)(C)C)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C2206.4Semi standard non polar33892256
Terbutaline,4TMS,isomer #1CC(C)(C)N(CC(O[Si](C)(C)C)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C2163.9Standard non polar33892256
Terbutaline,4TMS,isomer #1CC(C)(C)N(CC(O[Si](C)(C)C)C1=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1)[Si](C)(C)C2018.9Standard polar33892256
Terbutaline,1TBDMS,isomer #1CC(C)(C)NCC(O[Si](C)(C)C(C)(C)C)C1=CC(O)=CC(O)=C12318.1Semi standard non polar33892256
Terbutaline,1TBDMS,isomer #2CC(C)(C)NCC(O)C1=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C12282.5Semi standard non polar33892256
Terbutaline,1TBDMS,isomer #3CC(C)(C)N(CC(O)C1=CC(O)=CC(O)=C1)[Si](C)(C)C(C)(C)C2471.6Semi standard non polar33892256
Terbutaline,2TBDMS,isomer #1CC(C)(C)NCC(O[Si](C)(C)C(C)(C)C)C1=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C12408.9Semi standard non polar33892256
Terbutaline,2TBDMS,isomer #2CC(C)(C)N(CC(O[Si](C)(C)C(C)(C)C)C1=CC(O)=CC(O)=C1)[Si](C)(C)C(C)(C)C2711.1Semi standard non polar33892256
Terbutaline,2TBDMS,isomer #3CC(C)(C)NCC(O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C12460.7Semi standard non polar33892256
Terbutaline,2TBDMS,isomer #4CC(C)(C)N(CC(O)C1=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C2673.3Semi standard non polar33892256
Terbutaline,3TBDMS,isomer #1CC(C)(C)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)=C12599.1Semi standard non polar33892256
Terbutaline,3TBDMS,isomer #2CC(C)(C)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)C2880.7Semi standard non polar33892256
Terbutaline,3TBDMS,isomer #3CC(C)(C)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)C2894.8Semi standard non polar33892256
Terbutaline,4TBDMS,isomer #1CC(C)(C)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)C3089.4Semi standard non polar33892256
Terbutaline,4TBDMS,isomer #1CC(C)(C)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)C2896.8Standard non polar33892256
Terbutaline,4TBDMS,isomer #1CC(C)(C)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)C2457.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (Non-derivatized) - 70eV, Positivesplash10-000i-9600000000-883d61ad257dffc64a5d2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (3 TMS) - 70eV, Positivesplash10-0a4i-4009200000-9ae8a659f4d6ab038c422017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TBDMS_2_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TBDMS_3_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TBDMS_3_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Terbutaline GC-MS (TBDMS_3_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline LC-ESI-QTOF , positive-QTOFsplash10-004i-0290000000-8c26dbc913131cf49bc42017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline LC-ESI-QTOF , positive-QTOFsplash10-0udi-0900000000-3148282c5452a80b16c32017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline LC-ESI-QTOF , positive-QTOFsplash10-0udi-0900000000-9122151a6e70e6f2b5362017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline LC-ESI-QQ , positive-QTOFsplash10-004i-0090000000-aab7f309385309d8884b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline LC-ESI-QQ , positive-QTOFsplash10-0udi-0920000000-1e85cd2bf4a0358c22d72017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline LC-ESI-QQ , positive-QTOFsplash10-0udi-0900000000-82b70479a4e38921e06b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline LC-ESI-QQ , positive-QTOFsplash10-0a4i-2900000000-aff994ffd107ef3b6e712017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline LC-ESI-QQ , positive-QTOFsplash10-0a6r-7900000000-cfe77aa0133facea1c752017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline LC-ESI-IT , positive-QTOFsplash10-0udi-0900000000-1a0ccd393797b19105a02017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline LC-ESI-QTOF , positive-QTOFsplash10-004i-0190000000-f9271bb736a512dbdbab2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline LC-ESI-QTOF , positive-QTOFsplash10-0udi-0900000000-a70c8697ca76338394442017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline LC-ESI-QTOF , positive-QTOFsplash10-0a6r-1900000000-4a9c0ddb9af4ce93b4ae2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline LC-ESI-QTOF , positive-QTOFsplash10-0a6r-6900000000-0cc68c4a50196d6ffab62017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline LC-ESI-QTOF , positive-QTOFsplash10-004i-9400000000-e1cec349ffb2fcd3ebe22017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline 30V, Positive-QTOFsplash10-0a6r-1900000000-66b082864419c2ddb9d52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline 20V, Positive-QTOFsplash10-0udi-0900000000-a70c8697ca76338394442021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline 40V, Positive-QTOFsplash10-0a6r-6900000000-0cc68c4a50196d6ffab62021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline 50V, Positive-QTOFsplash10-004i-9400000000-e1cec349ffb2fcd3ebe22021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Terbutaline 30V, Positive-QTOFsplash10-0a6r-1900000000-4a9c0ddb9af4ce93b4ae2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Terbutaline 10V, Positive-QTOFsplash10-0a6r-0290000000-9796f2ff21f424e4e05e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Terbutaline 20V, Positive-QTOFsplash10-0zg0-1940000000-233ca9ad582e2ad95cd52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Terbutaline 40V, Positive-QTOFsplash10-0k9i-5900000000-92f8d44ebccabc74764f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Terbutaline 10V, Negative-QTOFsplash10-00di-1190000000-b64eabaa2feb653f341a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Terbutaline 20V, Negative-QTOFsplash10-05fr-4490000000-0e761dccb9282646875d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Terbutaline 40V, Negative-QTOFsplash10-0abi-9800000000-c64d63f8e4a1c43cef382016-08-03Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00871 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00871 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00871
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID5210
KEGG Compound IDC07129
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTerbutaline
METLIN IDNot Available
PubChem Compound5403
PDB IDNot Available
ChEBI ID9449
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 References
  1. Hochhaus G, Mollmann H: Pharmacokinetic/pharmacodynamic characteristics of the beta-2-agonists terbutaline, salbutamol and fenoterol. Int J Clin Pharmacol Ther Toxicol. 1992 Sep;30(9):342-62. [PubMed:1358833 ]
  2. Haahtela T, Jarvinen M, Kava T, Kiviranta K, Koskinen S, Lehtonen K, Nikander K, Persson T, Reinikainen K, Selroos O, et al.: Comparison of a beta 2-agonist, terbutaline, with an inhaled corticosteroid, budesonide, in newly detected asthma. N Engl J Med. 1991 Aug 8;325(6):388-92. [PubMed:2062329 ]
  3. Rhodes MC, Seidler FJ, Abdel-Rahman A, Tate CA, Nyska A, Rincavage HL, Slotkin TA: Terbutaline is a developmental neurotoxicant: effects on neuroproteins and morphology in cerebellum, hippocampus, and somatosensory cortex. J Pharmacol Exp Ther. 2004 Feb;308(2):529-37. Epub 2003 Nov 10. [PubMed:14610225 ]

Enzymes

General function:
Involved in carboxylesterase activity
Specific function:
Esterase with broad substrate specificity. Contributes to the inactivation of the neurotransmitter acetylcholine. Can degrade neurotoxic organophosphate esters.
Gene Name:
BCHE
Uniprot ID:
P06276
Molecular weight:
68417.575
References
  1. Kovarik Z, Simeon-Rudolf V: Interaction of human butyrylcholinesterase variants with bambuterol and terbutaline. J Enzyme Inhib Med Chem. 2004 Apr;19(2):113-7. [PubMed:15449725 ]
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. Schafers RF, Piest U, von Birgelen C, Jakubetz J, Daul AE, Philipp T, Brodde OE: Disodium cromoglycate does not prevent terbutaline-induced desensitization of beta 2-adrenoceptor-mediated cardiovascular in vivo functions in human volunteers. J Cardiovasc Pharmacol. 1999 May;33(5):822-7. [PubMed:10226872 ]
  2. Ramer-Quinn DS, Swanson MA, Lee WT, Sanders VM: Cytokine production by naive and primary effector CD4+ T cells exposed to norepinephrine. Brain Behav Immun. 2000 Dec;14(4):239-55. [PubMed:11120594 ]
  3. Zetterlund A, Hjemdahl P, Larsson K: beta2-Adrenoceptor desensitization in human alveolar macrophages induced by inhaled terbutaline in vivo is not counteracted by budesonide. Clin Sci (Lond). 2001 Apr;100(4):451-7. [PubMed:11256987 ]
  4. Nakamura A, Johns EJ, Imaizumi A, Yanagawa Y, Kohsaka T: Activation of beta(2)-adrenoceptor prevents shiga toxin 2-induced TNF-alpha gene transcription. J Am Soc Nephrol. 2001 Nov;12(11):2288-99. [PubMed:11675405 ]
  5. Chong LK, Suvarna K, Chess-Williams R, Peachell PT: Desensitization of beta2-adrenoceptor-mediated responses by short-acting beta2-adrenoceptor agonists in human lung mast cells. Br J Pharmacol. 2003 Feb;138(3):512-20. [PubMed:12569076 ]
  6. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]
  7. Riether C, Kavelaars A, Wirth T, Pacheco-Lopez G, Doenlen R, Willemen H, Heijnen CJ, Schedlowski M, Engler H: Stimulation of beta(2)-adrenergic receptors inhibits calcineurin activity in CD4(+) T cells via PKA-AKAP interaction. Brain Behav Immun. 2011 Jan;25(1):59-66. doi: 10.1016/j.bbi.2010.07.248. Epub 2010 Jul 30. [PubMed:20674738 ]
  8. Cooperberg BA, Breckenridge SM, Arbelaez AM, Cryer PE: Terbutaline and the prevention of nocturnal hypoglycemia in type 1 diabetes. Diabetes Care. 2008 Dec;31(12):2271-2. doi: 10.2337/dc08-0520. Epub 2008 Sep 9. [PubMed:18782903 ]
  9. Hochhaus G, Mollmann H: Pharmacokinetic/pharmacodynamic characteristics of the beta-2-agonists terbutaline, salbutamol and fenoterol. Int J Clin Pharmacol Ther Toxicol. 1992 Sep;30(9):342-62. [PubMed:1358833 ]
  10. Haahtela T, Jarvinen M, Kava T, Kiviranta K, Koskinen S, Lehtonen K, Nikander K, Persson T, Reinikainen K, Selroos O, et al.: Comparison of a beta 2-agonist, terbutaline, with an inhaled corticosteroid, budesonide, in newly detected asthma. N Engl J Med. 1991 Aug 8;325(6):388-92. [PubMed:2062329 ]