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CHEBI:3134 - bitolterol mesylate

ChEBI IDCHEBI:3134
ChEBI Namebitolterol mesylate
Stars
DefinitionThe methanesulfonate salt of bitolterol. A β2-adrenergic receptor agonist, it is used for relief of bronchospasm in conditions such as asthma, chronic bronchitis and emphysema.
Last Modified22 April 2010
DownloadsMolfile
FormulaC28H32NO5.CH3O3S
Net Charge0
Average Mass557.665
Monoisotopic Mass557.20834
SMILESCS(=O)(=O)[O-].Cc1ccc(C(=O)Oc2ccc(C(O)C[NH2+]C(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H31NO5.CH4O3S/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;1-5(2,3)4/h6-16,23,29-30H,17H2,1-5H3;1H3,(H,2,3,4)
InChIKeyHODFCFXCOMKRCG-UHFFFAOYSA-N
Roles Classification
Biological Role:
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
Applications:
bronchodilator agent  An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
anti-asthmatic drug  A drug used to treat asthma.
ChEBI Ontology
Outgoing Relation(s)
bitolterol mesylate (CHEBI:3134) has part bitolterol (CHEBI:3133)
bitolterol mesylate (CHEBI:3134) has role anti-asthmatic drug (CHEBI:49167)
bitolterol mesylate (CHEBI:3134) has role bronchodilator agent (CHEBI:35523)
bitolterol mesylate (CHEBI:3134) has role β-adrenergic agonist (CHEBI:35522)
bitolterol mesylate (CHEBI:3134) is a carboxylic ester (CHEBI:33308)
bitolterol mesylate (CHEBI:3134) is a diester (CHEBI:51307)
bitolterol mesylate (CHEBI:3134) is a methanesulfonate salt (CHEBI:38037)
bitolterol mesylate (CHEBI:3134) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
(R)-bitolterol mesylate (CHEBI:59190) is a bitolterol mesylate (CHEBI:3134)
(S)-bitolterol mesylate (CHEBI:59191) is a bitolterol mesylate (CHEBI:3134)
IUPAC Name 
4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diyl bis(4-methylbenzoate) methanesulfonate
Synonyms  Source
4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diyl bis(4-methylbenzoate) mesylateChEBI
4-(2-(tert-butylamino)-1-hydroxyethyl)-o-phenylene di-p-toluate mesylateChEBI
4-(2-(tert-butylamino)-1-hydroxyethyl)-o-phenylene di-p-toluate methanesulfonateChemIDplus
4-[2-(tert-butylamino)-1-hydroxyethyl]-o-phenylene di-p-toluate mesylateChEBI
4-[2-(tert-butylamino)-1-hydroxyethyl]-o-phenylene di-p-toluate methanesulfonateChEBI
bitolterol mesilatChemIDplus
Manual XrefsDatabases
D00684KEGG DRUG
DB00901DrugBank
Registry NumbersSources
Beilstein:4103660Beilstein
CAS:30392-41-7ChemIDplus