EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:518413 - alverine

ChEBI IDCHEBI:518413
ChEBI Namealverine
Stars
DefinitionA tertiary amine having one ethyl and two 3-phenylprop-1-yl groups attached to the nitrogen. An antispasmodic that acts directly on intestinal and uterine smooth muscle, it is used (particularly as the citrate salt) in the treatment of irritable bowel syndrome.
Last Modified22 February 2017
DownloadsMolfile
FormulaC20H27N
Net Charge0
Average Mass281.443
Monoisotopic Mass281.21435
SMILESCCN(CCCc1ccccc1)CCCc1ccccc1
InChIInChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3
InChIKeyZPFXAOWNKLFJDN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
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 (CHEBI:518413) has role antispasmodic drug (CHEBI:53784)
alverine (CHEBI:518413) is a tertiary amine (CHEBI:32876)
alverine (CHEBI:518413) is conjugate base of alverine(1+) (CHEBI:64320)
Incoming Relation(s)
alverine(1+) (CHEBI:64320) is conjugate acid of alverine (CHEBI:518413)
IUPAC Name 
N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine
INNs  Source
alverineKEGG DRUG
alverinaDrugBank
alverinumDrugBank
Synonyms  Source
Bis(gamma-phenylpropyl)ethylamineDrugBank
Di(phenylpropyl)ethylamineDrugBank
N,N-Bis(3-phenylpropyl)ethylamineChemIDplus
N-Ethyl-3,3'-diphenyldipropylamineDrugBank
N-Ethyl-3-phenyl-N-(3-phenylpropyl)-1-propanamineNIST Chemistry WebBook
N-Ethyl-N-(3-phenylpropyl)benzenepropanamineDrugBank
Manual XrefsDatabases
D07440KEGG DRUG
DB01616DrugBank
LSM-3988LINCS
142DrugCentral
Registry NumbersSources
Beilstein:2856783Beilstein
CAS:150-59-4KEGG DRUG
CAS:150-59-4ChemIDplus
CAS:150-59-4NIST Chemistry WebBook