EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31327 - butropium bromide

ChEBI IDCHEBI:31327
ChEBI Namebutropium bromide
Stars
DefinitionAn organic bromide salt of butropium. It is a drug which suppresses spasm of smooth muscles of internal organs, inhibits gastric acid secretion and relieves abdominal pain. It is used in the treatment of spasmodic pains associated with gastritis, gastric ulcers and cholelithiasis.
Last Modified17 December 2019
DownloadsMolfile
FormulaBr.C28H38NO4
Net Charge0
Average Mass532.519
Monoisotopic Mass531.19842
SMILESCCCCOc1ccc(C[N+]2(C)[C@@H]3CC[C@H]2C[C@@H](OC(=O)[C@H](CO)c2ccccc2)C3)cc1.[Br-]
InChIInChI=1S/C28H38NO4.BrH/c1-3-4-16-32-25-14-10-21(11-15-25)19-29(2)23-12-13-24(29)18-26(17-23)33-28(31)27(20-30)22-8-6-5-7-9-22;/h5-11,14-15,23-24,26-27,30H,3-4,12-13,16-20H2,1-2H3;1H/q+1;/p-1/t23-,24+,26+,27-,29?;/m1./s1
InChIKeyJABDOYKGZCPHPX-XSCYYCMVSA-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:
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)
butropium bromide (CHEBI:31327) has part butropium (CHEBI:145697)
butropium bromide (CHEBI:31327) has role antispasmodic drug (CHEBI:53784)
butropium bromide (CHEBI:31327) has role muscarinic antagonist (CHEBI:48876)
butropium bromide (CHEBI:31327) is a organic bromide salt (CHEBI:48369)
butropium bromide (CHEBI:31327) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name 
(3-endo)-8-(4-butoxybenzyl)-3-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane bromide
INNs  Source
butropium bromideWHO MedNet
butropii bromidumWHO MedNet
bromure de butropiumWHO MedNet
bromuro de butropioWHO MedNet
Synonyms  Source
(1R,3r,5S)-8-[(4-butoxyphenyl)methyl]-3-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromideIUPAC
butropium BrChEBI
p-butoxybenzyl hyoscyaminium bromideChemIDplus
Brand Name  Source
ColiopanKEGG DRUG
Manual XrefsDatabases
D01491KEGG DRUG
456DrugCentral
Registry NumbersSources
CAS:29025-14-7ChemIDplus
Citations