Bitolterol

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Systematic / IUPAC Name: 4-{1-Hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}-1,2-phenylene bis(4-methylbenzoate)

ID: Reference7235

Other Names: Bitolterolum;
{4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(4-methylbenzoyl)oxyphenyl} 4-methylbenzoate ;
4-[2-(tert-Butylamino)-1-hydroxyethyl]-o-phenylene di-p-toluate ;
4-[2-(tert-Butylamino)-1-hydroxyethyl]benzene-1,2-diyl bis(4-methylbenzoate);
4-{2-[(1,1-Dimethylethyl)amino]-1-hydroxyethyl}benzene-1,2-diyl bis(4-methylbenzoate) ; more

Formula: C28H31NO5

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Bitolterol 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 Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/9/2018 12:27:49 PM
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Identificators

InChI InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3
InChI Key FZGVEKPRDOIXJY-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CNC(C)(C)C)O)OC(=O)C3=CC=C(C=C3)C
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Other Names Bitolterolum;
{4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(4-methylbenzoyl)oxyphenyl} 4-methylbenzoate ;
4-[2-(tert-Butylamino)-1-hydroxyethyl]-o-phenylene di-p-toluate ;
4-[2-(tert-Butylamino)-1-hydroxyethyl]benzene-1,2-diyl bis(4-methylbenzoate);
4-{2-[(1,1-Dimethylethyl)amino]-1-hydroxyethyl}benzene-1,2-diyl bis(4-methylbenzoate);
5-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(4-methylbenzoyloxy)phenyl 4-methylbenzoate;
Benzoic acid, 4-methyl, 4-{2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl}-1,2-phenylene ester ;
Bis(4-methylbenzoic acid) 4-[2-(tert-butylamino)-1-hydroxyethyl]-1,2-phenylene ester

In Other Databases

Wikipedia Bitolterol
ChemIDPlus 030392406
DrugBank DB00901
ChEBI CHEBI:3133
PubChem 35330
KEGG D07534; C06853
ChEMBL CHEMBL1201295
ChemSpider 32525