Mabuterol

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Systematic / IUPAC Name: 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methyl-2-propanyl)amino]ethanol

ID: Reference2256

Other Names: Ambuterol;
1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;
4-Amino-α-[(tert-butylamino)methyl]-3-chloro-5-(trifluoromethyl)benzyl alcohol;
Benzenemethanol, 4-amino-3-chloro-α-{[(1,1-dimethylethyl)amino]methyl}-5-(trifluoromethyl)-

Formula: C13H18ClF3N2O

Class: Sports Doping Drugs Therapeutics/Prescription Drugs

Spectral Data

Mabuterol 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 2/13/2015 1:25:45 PM
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Identificators

InChI InChI=1S/C13H18ClF3N2O/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7/h4-5,10,19-20H,6,18H2,1-3H3
InChI Key JSJCTEKTBOKRST-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O
CAS 56341083
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Other Names Ambuterol;
1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;
4-Amino-α-[(tert-butylamino)methyl]-3-chloro-5-(trifluoromethyl)benzyl alcohol;
Benzenemethanol, 4-amino-3-chloro-α-{[(1,1-dimethylethyl)amino]methyl}-5-(trifluoromethyl)-

In Other Databases

ChemSpider 3857
ChEMBL CHEMBL86749
ChemIDPlus 056341083
Wikipedia Mabuterol
PubChem 3995