bitolterol (CHEBI:3133)

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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

Average Mass

461.54940

Monoisotopic Mass

461.22022

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.

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)

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

Last Modified

22 February 2017