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CHEBI:46659 - ipratropium bromide

Default Structure
ChEBI IDCHEBI:46659
ChEBI Nameipratropium bromide
Stars
DefinitionThe anhydrous form of the bromide salt of ipratropium. 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.
Last Modified13 August 2010
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaBr.C20H30NO3
Net Charge0
Average Mass412.368
Monoisotopic Mass411.14091
SMILES[Br-].[H][C@]12CC[C@]([H])(C[C@H](OC(=O)C(CO)c3ccccc3)C1)[N@+]2(C)C(C)C
InChIInChI=1S/C20H30NO3.BrH/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/q+1;/p-1/t16-,17+,18+,19?,21+;
InChIKeyLHLMOSXCXGLMMN-VVQPYUEFSA-M
Roles Classification
Biological Role:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
Applications:
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.
antispasmodic drug  A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.
ChEBI Ontology
Outgoing Relation(s)
ipratropium bromide (CHEBI:46659) has part ipratropium (CHEBI:5956)
ipratropium bromide (CHEBI:46659) has role antispasmodic drug (CHEBI:53784)
ipratropium bromide (CHEBI:46659) has role bronchodilator agent (CHEBI:35523)
ipratropium bromide (CHEBI:46659) has role muscarinic antagonist (CHEBI:48876)
ipratropium bromide (CHEBI:46659) is a organic bromide salt (CHEBI:48369)
Incoming Relation(s)
ipratropium bromide hydrate (CHEBI:5957) has part ipratropium bromide (CHEBI:46659)
IUPAC Name 
(3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide
INNs  Source
bromure d'ipratropiumChemIDplus
bromuro de ipratropioChemIDplus
ipratropii bromidumChemIDplus
ipratropium bromideChemIDplus
Synonyms  Source
3α-hydroxy-8-isopropyl-1αH,5αH-tropanium bromide (±)-tropateChEBI
8-isopropylnoratropine methobromideChemIDplus
N-isopropylnoratropinium bromomethylateChemIDplus
(endo,syn)-(±)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-8-azoniabicyclo[3.2.1]octane bromideChEBI
IpratropiumbromidChemIDplus
ipratropium bromide (anhydrous)ChEBI
Manual XrefsDatabases
DB00332DrugBank
US3505337Patent
Registry NumbersSources
Beilstein:10404264Beilstein
CAS:22254-24-6ChemIDplus