Pirbuterol

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Systematic / IUPAC Name: 6-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol

ID: Reference2368

Other Names: Pyrbuterol;
Pirbuterolum;
2-tert-Butylamino-1-(5-hydroxy-6-hydroxymethyl-2-pyridyl)ethanol;
6-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)-3-pyridinol;
Ethanol, 2-tert-butylamino-1-(5-hydroxy-6-hydroxymethyl-2-pyridyl)-

Formula: C12H20N2O3

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

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

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/4/2015 2:20:11 PM
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Identificators

InChI InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3
InChI Key VQDBNKDJNJQRDG-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)NCC(C1=NC(=C(C=C1)O)CO)O
CAS
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Other Names Pyrbuterol;
Pirbuterolum;
2-tert-Butylamino-1-(5-hydroxy-6-hydroxymethyl-2-pyridyl)ethanol;
6-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)-3-pyridinol;
Ethanol, 2-tert-butylamino-1-(5-hydroxy-6-hydroxymethyl-2-pyridyl)-;
2-(Hydroxymethyl)-6-(1-hydroxy-2-tert-butylaminoethyl)pyridin-3-ol

In Other Databases

ChemIDPlus 038677815
ChemSpider 4679
Wikipedia Pirbuterol
ChEMBL CHEMBL1094966
DrugBank DB01291
PubChem 4845
KEGG C07807; D08387