EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:135331 - ambutonium

ChEBI IDCHEBI:135331
ChEBI Nameambutonium
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC20H27N2O
Net Charge+1
Average Mass311.449
Monoisotopic Mass311.21179
SMILESCC[N+](C)(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-4-22(2,3)16-15-20(19(21)23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3,(H-,21,23)/p+1
InChIKeyKFZMXOLSYABOSE-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
ambutonium (CHEBI:135331) is a diarylmethane (CHEBI:51614)
Synonym  Source
ambutonium bromideDrugCentral
Manual XrefsDatabases
149DrugCentral
Registry NumbersSources
CAS:14007-49-9DrugCentral