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CHEBI:31834 - Methylbenactyzium bromide

ChEBI IDCHEBI:31834
ChEBI NameMethylbenactyzium bromide
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaBr.C21H28NO3
Net Charge0
Average Mass422.363
Monoisotopic Mass421.12526
SMILESCC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C21H28NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,24H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
InChIKeyDKMVJQCQTCLYIF-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Methylbenactyzium bromide (CHEBI:31834) is a diarylmethane (CHEBI:51614)
Synonym  Source
Methylbenactyzium bromideKEGG COMPOUND
Manual XrefsDatabases
D01315KEGG DRUG
Registry NumbersSources
CAS:3166-62-9KEGG COMPOUND