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CHEBI:32288 - Valethamate bromide

ChEBI IDCHEBI:32288
ChEBI NameValethamate bromide
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaBr.C19H32NO2
Net Charge0
Average Mass386.374
Monoisotopic Mass385.16164
SMILESCCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-]
InChIInChI=1S/C19H32NO2.BrH/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3;/h9-13,16,18H,6-8,14-15H2,1-5H3;1H/q+1;/p-1
InChIKeyCEJGGHKJHDHLAZ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Valethamate bromide (CHEBI:32288) is a alkylbenzene (CHEBI:38976)
Synonyms  Source
Valethamate bromideKEGG COMPOUND
Shinmetane (TN)KEGG COMPOUND
Manual XrefsDatabases
D01538KEGG DRUG
Registry NumbersSources
CAS:90-22-2KEGG COMPOUND