The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

alverine citrate

Synonyms

C20H27N.C6H8O7

C26H35NO7

N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate

N-Ethyl-3,3'-diphenyldipropylamine citrate

ID

http://purl.obolibrary.org/obo/CHEBI_53785

Definition

The 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.

has role

http://purl.obolibrary.org/obo/CHEBI_48873

http://purl.obolibrary.org/obo/CHEBI_53784

InChI

InChI=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)

InChIKey

InChIKey=RYHCACJBKCOBTJ-UHFFFAOYSA-N

label

alverine citrate

prefixIRI

obo2:CHEBI_53785

prefLabel

alverine citrate

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CCCc1ccccc1)CCCc1ccccc1

Synonym

C20H27N.C6H8O7

C26H35NO7

N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate

N-Ethyl-3,3'-diphenyldipropylamine citrate

xref

CASRN:5560-59-8

CiteXplore:21698811

KEGG DRUG:D02877

ChEMBL:932478

CiteXplore:19148544

DrugBank:DB01616

CiteXplore:19115153

Patent:CN101838205

CiteXplore:20415841

CiteXplore:12030962

Reaxys:3851428

Beilstein:3851428

CiteXplore:20003095

CiteXplore:17934514

CiteXplore:15259090

CiteXplore:20375645

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

Delete Subject Author Type Created
No notes to display