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CHEBI:53785 - alverine citrate

Default Structure
ChEBI IDCHEBI:53785
ChEBI Namealverine citrate
Stars
DefinitionThe citrate salt of alverine, resulting from the reaction of equimolar amounts of alvarine and citric acid. An antispasmodic that acts directly on intestinal and uterine smooth muscle, it is used in the treatment of irritable bowel syndrome.
Last Modified29 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC20H27N.C6H8O7
Net Charge0
Average Mass473.566
Monoisotopic Mass473.24135
SMILESCCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyRYHCACJBKCOBTJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
cholinergic antagonist  Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists.
Applications:
cholinergic antagonist  Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic 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)
alverine citrate (CHEBI:53785) has part alverine(1+) (CHEBI:64320)
alverine citrate (CHEBI:53785) has role antispasmodic drug (CHEBI:53784)
alverine citrate (CHEBI:53785) has role cholinergic antagonist (CHEBI:48873)
alverine citrate (CHEBI:53785) is a citrate salt (CHEBI:50744)
alverine citrate (CHEBI:53785) is a organoammonium salt (CHEBI:46850)
IUPAC Name 
N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate
Synonym  Source
N-Ethyl-3,3'-diphenyldipropylamine citrateChemIDplus
Manual XrefsDatabases
CN101838205Patent
D02877KEGG DRUG
DB01616DrugBank
Registry NumbersSources
Reaxys:3851428Reaxys
CAS:5560-59-8KEGG DRUG
CAS:5560-59-8ChemIDplus
Citations