Terbutaline

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Systematic / IUPAC Name: 5-{1-Hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}-1,3-benzenediol

ID: Reference924

Other Names: 5-[2-(tert-Butylamino)-1-hydroxyethyl]benzene-1,3-diol;
Benzyl alcohol, α-((tert-butylamino)methyl)-3,5-dihydroxy-;
5-{2-[(1,1-Dimethylethyl)amino]-1-hydroxyethyl}benzene-1,3-diol;
1,3-Benzenediol, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-;
Brethaire ; more

Formula: C12H19NO3

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Terbutaline mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 107
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/31/2015 10:20:08 AM
View Mass Spec Data > >

Identificators

InChI 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 Key XWTYSIMOBUGWOL-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O
CAS 46719293
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Other Names 5-[2-(tert-Butylamino)-1-hydroxyethyl]benzene-1,3-diol;
Benzyl alcohol, α-((tert-butylamino)methyl)-3,5-dihydroxy-;
5-{2-[(1,1-Dimethylethyl)amino]-1-hydroxyethyl}benzene-1,3-diol;
1,3-Benzenediol, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-;
Brethaire;
Brethine;
Bricanyl;
Terbutalin;
Brican;
Bricaril;
Bricar;
Bricyn

In Other Databases

DrugBank APRD00589
ChemSpider 5210
PubChem 5403
ChEBI CHEBI:9449
ChemIDPlus 023031256; 046719293
KEGG C07129; D08570
ChEMBL CHEMBL1760
Wikipedia Terbutaline