CHEBI:90959 - tiotropium bromide

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ChEBI Name tiotropium bromide
ChEBI ID CHEBI:90959
Definition An organic bromide salt having (1α,2β,4β,5α,7β)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane as the counterion. Used (in the form of the hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.
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Formula C19H22BrNO4S2
Net Charge 0
Average Mass 472.419
Monoisotopic Mass 471.01736
InChI InChI=1S/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11-,12-,13+,16-,17+;
InChIKey DQHNAVOVODVIMG-FOGIBKMMSA-M
SMILES O([C@H]1C[C@]2([C@@H]3O[C@@H]3[C@](C1)([H])[N+]2(C)C)[H])C(C(C4=CC=CS4)(C=5SC=CC5)O)=O.[Br-]
Roles Classification
Biological Role(s): muscarinic antagonist
A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
Application(s): bronchodilator agent
An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
muscarinic antagonist
A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
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ChEBI Ontology
Outgoing tiotropium bromide (CHEBI:90959) has role bronchodilator agent (CHEBI:35523)
tiotropium bromide (CHEBI:90959) has role muscarinic antagonist (CHEBI:48876)
tiotropium bromide (CHEBI:90959) is a organic bromide salt (CHEBI:48369)
tiotropium bromide (CHEBI:90959) is a quaternary ammonium salt (CHEBI:35273)
INN Source
tiotropium bromide ChemIDplus
Synonyms Sources
(1α,2β,4β,5α,7β)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide IUPAC
7-((Hydroxybis(2-thienyl)acetyl)oxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane bromide ChemIDplus
BA 679 BR ChemIDplus
BA 679BR ChemIDplus
BA-679 BR ChemIDplus
Manual Xref Database
Tiotropium_bromide Wikipedia
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Registry Numbers Types Sources
11069044 Reaxys Registry Number Reaxys
136310-93-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16357953 PubMed citation Europe PMC
19281093 PubMed citation Europe PMC
20508873 PubMed citation Europe PMC
20856827 PubMed citation Europe PMC
26604737 PubMed citation Europe PMC
26692823 PubMed citation Europe PMC
26756006 PubMed citation Europe PMC
Last Modified
22 February 2017