CHEBI:3134 - bitolterol mesylate

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ChEBI Name bitolterol mesylate ChEBI ID CHEBI:3134 Definition The 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H35NO8S Net Charge 0 Average Mass 557.65500 Monoisotopic Mass 557.20834 InChI InChI=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) InChIKey HODFCFXCOMKRCG-UHFFFAOYSA-N SMILES CS([O-])(=O)=O.Cc1ccc(cc1)C(=O)Oc1ccc(cc1OC(=O)c1ccc(C)cc1)C(O)C[NH2+]C(C)(C)C Roles Classification 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. View more via ChEBI Ontology ChEBI Ontology Outgoing bitolterol mesylate (CHEBI:3134) has part bitolterol (CHEBI:3133) bitolterol mesylate (CHEBI:3134) has role β-adrenergic agonist (CHEBI:35522) 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) 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 (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 Sources 4-(2-(tert-butylamino)-1-hydroxyethyl)-o-phenylene di-p-toluate mesylate ChEBI 4-(2-(tert-butylamino)-1-hydroxyethyl)-o-phenylene di-p-toluate methanesulfonate ChemIDplus 4-[2-(tert-butylamino)-1-hydroxyethyl]-o-phenylene di-p-toluate mesylate ChEBI 4-[2-(tert-butylamino)-1-hydroxyethyl]-o-phenylene di-p-toluate methanesulfonate ChEBI 4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diyl bis(4-methylbenzoate) mesylate ChEBI bitolterol mesilat ChemIDplus bitolterol mesilate KEGG DRUG bitolterol methanesulfonate salt ChEBI N-(2-{3,4-bis[(4-methylbenzoyl)oxy]phenyl}-2-hydroxyethyl)-2-methylpropan-2-aminium mesylate ChEBI N-(2-{3,4-bis[(4-methylbenzoyl)oxy]phenyl}-2-hydroxyethyl)-2-methylpropan-2-aminium methanesulfonate IUPAC Manual Xrefs Databases D00684 KEGG DRUG DB00901 DrugBank View more database links Registry Numbers Types Sources 30392-41-7 CAS Registry Number ChemIDplus 4103660 Beilstein Registry Number Beilstein Last Modified 22 April 2010