EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:32123 - butylscopolamine bromide

ChEBI IDCHEBI:32123
ChEBI Namebutylscopolamine bromide
Stars
DefinitionAn organic bromide salt of butylscopolamine. It is an antispasmodic drug which can relieve painful stomach cramps (including those linked with irritable bowel syndrome), bladder and menstrual cramps.
Last Modified18 December 2019
DownloadsMolfile
FormulaBr.C21H30NO4
Net Charge0
Average Mass440.378
Monoisotopic Mass439.13582
SMILESCCCC[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12.[Br-]
InChIInChI=1S/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15-,16-,17-,18+,19-,20+,22?;/m1./s1
InChIKeyHOZOZZFCZRXYEK-GSWUYBTGSA-M
Wikipedia
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:
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.
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
ChEBI Ontology
Outgoing Relation(s)
butylscopolamine bromide (CHEBI:32123) has part butylscopolamine (CHEBI:145701)
butylscopolamine bromide (CHEBI:32123) has role antispasmodic drug (CHEBI:53784)
butylscopolamine bromide (CHEBI:32123) has role muscarinic antagonist (CHEBI:48876)
butylscopolamine bromide (CHEBI:32123) is a organic bromide salt (CHEBI:48369)
butylscopolamine bromide (CHEBI:32123) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name 
(2R,4S,5S,7s)-9-butyl-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide
Synonyms  Source
scopolamine butylbromideKEGG DRUG
butylscopolamine bromideKEGG DRUG
scopolamine bromobutylateDrugBank
N-butylscopolammonium bromideDrugBank
hyoscine butylbromideDrugBank
scopolamine N-butylbromideDrugBank
Brand Names  Source
BuscopanKEGG DRUG
AmisepanChemIDplus
BuscapineChemIDplus
BuscapinaChemIDplus
BuscolChemIDplus
BuscolysinChemIDplus
Manual XrefsDatabases
D01451KEGG DRUG
458DrugCentral
Hyoscine_butylbromideWikipedia
DBSALT002585DrugBank
Registry NumbersSources
CAS:149-64-4ChemIDplus
Citations