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CHEBI:193879 - 5-Hydroxyemedastine

ChEBI IDCHEBI:193879
ChEBI Name5-Hydroxyemedastine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26N4O2
Net Charge0
Average Mass318.421
Monoisotopic Mass318.20558
SMILESCCOCCn1c(N2CCCN(C)CC2)nc2cc(O)ccc21
InChIInChI=1S/C17H26N4O2/c1-3-23-12-11-21-16-6-5-14(22)13-15(16)18-17(21)20-8-4-7-19(2)9-10-20/h5-6,13,22H,3-4,7-12H2,1-2H3
InChIKeyJNLXTCQXMDMAOC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
5-Hydroxyemedastine (CHEBI:193879) is a benzimidazoles (CHEBI:22715)
IUPAC Name 
1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazol-5-ol
Manual XrefsDatabases
HMDB0060777HMDB
30778587ChemSpider