EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:6818 - Methantheline bromide

ChEBI IDCHEBI:6818
ChEBI NameMethantheline bromide
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaBr.C21H26NO3
Net Charge0
Average Mass420.347
Monoisotopic Mass419.10961
SMILESCC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21.[Br-]
InChIInChI=1S/C21H26NO3.BrH/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20;/h6-13,20H,4-5,14-15H2,1-3H3;1H/q+1;/p-1
InChIKeyPQMWYJDJHJQZDE-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Methantheline bromide (CHEBI:6818) is a xanthenes (CHEBI:38835)
Synonyms  Source
Methantheline bromideKEGG COMPOUND
GastronKEGG COMPOUND
Banthine (TN)KEGG COMPOUND
Manual XrefsDatabases
D00721KEGG DRUG
Registry NumbersSources
CAS:53-46-3KEGG COMPOUND