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CHEBI:31274 - Betahistine mesilate

Default Structure
ChEBI IDCHEBI:31274
ChEBI NameBetahistine mesilate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC8H12N2.2CH4O3S
Net Charge0
Average Mass328.412
Monoisotopic Mass328.07628
SMILESCNCCc1ccccn1.CS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/C8H12N2.2CH4O3S/c1-9-7-5-8-4-2-3-6-10-8;2*1-5(2,3)4/h2-4,6,9H,5,7H2,1H3;2*1H3,(H,2,3,4)
InChIKeyZBJJDYGJCNTNTH-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)
Betahistine mesilate (CHEBI:31274) is a aralkylamine (CHEBI:18000)
Synonym  Source
Betahistine mesilateKEGG COMPOUND
Manual XrefsDatabases
D01592KEGG DRUG
Registry NumbersSources
CAS:54856-23-4KEGG COMPOUND