CHEBI:5957 - ipratropium bromide hydrate

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ChEBI Name ipratropium bromide hydrate
ChEBI ID CHEBI:5957
Definition The monohydrate form of ipratropium bromide. An anticholinergic drug, ipratropium bromide blocks the muscarinic cholinergic receptors in the smooth muscles of the bronchi in the lungs. This opens the bronchi, so providing relief in chronic obstructive pulmonary disease and acute asthma.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C20H30NO3.H2O.Br
C20H32BrNO4
Net Charge 0
Average Mass 430.37642
Monoisotopic Mass 429.15147
InChI InChI=1S/C20H30NO3.BrH.H2O/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H;1H2/q+1;;/p-1/t16-,17+,18+,19?,21+;;
InChIKey KEWHKYJURDBRMN-ZEODDXGYSA-M
SMILES [Br-].[H]O[H].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N@+]2(C)C(C)C
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): muscarinic antagonist
A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
bronchodilator agent
An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
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ChEBI Ontology
Outgoing ipratropium bromide hydrate (CHEBI:5957) has part ipratropium bromide (CHEBI:46659)
ipratropium bromide hydrate (CHEBI:5957) has role bronchodilator agent (CHEBI:35523)
ipratropium bromide hydrate (CHEBI:5957) has role muscarinic antagonist (CHEBI:48876)
ipratropium bromide hydrate (CHEBI:5957) is a hydrate (CHEBI:35505)
IUPAC Name
(3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide—water (1/1)
Synonyms Sources
ipratropium bromide ChemIDplus
ipratropium bromide hydrate ChemIDplus
ipratropium bromide monohydrate ChEBI
Manual Xrefs Databases
D02212 KEGG DRUG
DB00332 DrugBank
View more database links
Registry Number Type Source
66985-17-9 CAS Registry Number ChemIDplus
Last Modified
13 August 2010