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CHEBI:59189 - (S)-bitolterol

ChEBI IDCHEBI:59189
ChEBI Name(S)-bitolterol
Stars
ASCII Name(S)-bitolterol
DefinitionThe (S)-enantiomer of bitolterol.
Last Modified24 August 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H31NO5
Net Charge0
Average Mass461.558
Monoisotopic Mass461.22022
SMILESCc1ccc(C(=O)Oc2ccc([C@H](O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1
InChIInChI=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/t23-/m1/s1
InChIKeyFZGVEKPRDOIXJY-HSZRJFAPSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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.
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
ChEBI Ontology
Outgoing Relation(s)
(S)-bitolterol (CHEBI:59189) is a bitolterol (CHEBI:3133)
(S)-bitolterol (CHEBI:59189) is enantiomer of (R)-bitolterol (CHEBI:59188)
Incoming Relation(s)
(R)-bitolterol (CHEBI:59188) is enantiomer of (S)-bitolterol (CHEBI:59189)
Synonym  Source
4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diyl bis(4-methylbenzoate)ChEBI