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CHEBI:59191 - (S)-bitolterol mesylate

ChEBI IDCHEBI:59191
ChEBI Name(S)-bitolterol mesylate
Stars
ASCII Name(S)-bitolterol mesylate
DefinitionThe methanesulfonate salt of (S)-bitolterol.
Last Modified22 April 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H32NO5.CH3O3S
Net Charge0
Average Mass557.665
Monoisotopic Mass557.20834
SMILESCS(=O)(=O)[O-].Cc1ccc(C(=O)Oc2ccc([C@H](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)/t23-;/m1./s1
InChIKeyHODFCFXCOMKRCG-GNAFDRTKSA-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)
(S)-bitolterol mesylate (CHEBI:59191) is a bitolterol mesylate (CHEBI:3134)
(S)-bitolterol mesylate (CHEBI:59191) is enantiomer of (R)-bitolterol mesylate (CHEBI:59190)
Incoming Relation(s)
(R)-bitolterol mesylate (CHEBI:59190) is enantiomer of (S)-bitolterol mesylate (CHEBI:59191)
IUPAC Name 
4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diyl bis(4-methylbenzoate) methanesulfonate
Synonyms  Source
4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diyl bis(4-methylbenzoate) mesylateChEBI
N-[(2S)-2-{3,4-bis[(4-methylbenzoyl)oxy]phenyl}-2-hydroxyethyl]-2-methylpropan-2-aminium methanesulfonateIUPAC
(S)-bitolterol mesilatChEBI
(S)-bitolterol mesilateChEBI
(S)-bitolterol methanesulfonate saltChEBI
Manual XrefsDatabases
DB00901DrugBank