EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:34649 - Clofilium

ChEBI IDCHEBI:34649
ChEBI NameClofilium
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC21H37ClN
Net Charge+1
Average Mass338.987
Monoisotopic Mass338.26090
SMILESCCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1
InChIInChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1
InChIKeyWPSYTTKBGAZSCX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Clofilium (CHEBI:34649) is a benzenes (CHEBI:22712)
Clofilium (CHEBI:34649) is a organic amino compound (CHEBI:50047)
Synonym  Source
ClofiliumKEGG COMPOUND
Manual XrefsDatabases
C13772KEGG COMPOUND
LSM-5214LINCS
Registry NumbersSources
CAS:68379-02-2KEGG COMPOUND