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CHEBI:34736 - Emopamil

ChEBI IDCHEBI:34736
ChEBI NameEmopamil
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H30N2
Net Charge0
Average Mass334.507
Monoisotopic Mass334.24090
SMILESCC(C)C(C#N)(CCCN(C)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3
InChIKeyDWAWDSVKAUWFHC-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)
Emopamil (CHEBI:34736) is a benzenes (CHEBI:22712)
Emopamil (CHEBI:34736) is a organic amino compound (CHEBI:50047)
Synonym  Source
EmopamilKEGG COMPOUND
Manual XrefsDatabases
C13766KEGG COMPOUND
HMDB0012224HMDB
Registry NumbersSources
CAS:78370-13-5KEGG COMPOUND