CHEBI:3133 - bitolterol

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ChEBI Name bitolterol
ChEBI ID CHEBI:3133
Definition The di-4-toluate ester of (±)-N-tert-butylnoradrenaline (colterol). A pro-drug for colterol, a β2-adrenergic receptor agonist, bitolterol is used as its methanesulfonate salt for relief of bronchospasm in conditions such as asthma, chronic bronchitis and emphysema.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C28H31NO5
Net Charge 0
Average Mass 461.54940
Monoisotopic Mass 461.220
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
InChIKey FZGVEKPRDOIXJY-UHFFFAOYSA-N
SMILES Cc1ccc(cc1)C(=O)Oc1ccc(cc1OC(=O)c1ccc(C)cc1)C(O)CNC(C)(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): beta-adrenergic agonist
An agent that selectively binds to and activates beta-adrenergic receptors.
Application(s): bronchodilator agent
An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
anti-asthmatic drug
A drug used to treat asthma.
beta-adrenergic agonist
An agent that selectively binds to and activates beta-adrenergic receptors.
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.
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ChEBI Ontology
Outgoing bitolterol (CHEBI:3133) has role β-adrenergic agonist (CHEBI:35522)
bitolterol (CHEBI:3133) has role anti-asthmatic drug (CHEBI:49167)
bitolterol (CHEBI:3133) has role bronchodilator agent (CHEBI:35523)
bitolterol (CHEBI:3133) has role prodrug (CHEBI:50266)
bitolterol (CHEBI:3133) is a carboxylic ester (CHEBI:33308)
bitolterol (CHEBI:3133) is a diester (CHEBI:51307)
bitolterol (CHEBI:3133) is a ethanolamines (CHEBI:23981)
bitolterol (CHEBI:3133) is a secondary alcohol (CHEBI:35681)
bitolterol (CHEBI:3133) is a secondary amino compound (CHEBI:50995)
Incoming bitolterol mesylate (CHEBI:3134) has part bitolterol (CHEBI:3133)
(R)-bitolterol (CHEBI:59188) is a bitolterol (CHEBI:3133)
(S)-bitolterol (CHEBI:59189) is a bitolterol (CHEBI:3133)
IUPAC Name
4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diyl bis(4-methylbenzoate)
INNs Sources
bitolterol ChemIDplus
bitolterol WHO MedNet
bitoltérol WHO MedNet
bitolterolum ChemIDplus
Synonyms Sources
4-(2-(tert-butylamino)-1-hydroxyethyl)-o-phenylene di-p-toluate ChemIDplus
4-[2-(tert-butylamino)-1-hydroxyethyl]-o-phenylene di-p-toluate ChEBI
bis(4-methylbenzoic acid) 4-[2-(tert-butylamino)-1-hydroxyethyl]-1,2-phenylene ester ChEBI
Manual Xrefs Databases
384 DrugCentral
Bitolterol Wikipedia
C06853 KEGG COMPOUND
D07534 KEGG DRUG
DB00901 DrugBank
DE2015573 Patent
US4138581 Patent
View more database links
Registry Numbers Types Sources
2229527 Beilstein Registry Number Beilstein
2229527 Reaxys Registry Number Reaxys
30392-40-6 CAS Registry Number KEGG COMPOUND
30392-40-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
3278878 PubMed citation Europe PMC
473792 PubMed citation Europe PMC
Last Modified
22 February 2017