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CHEBI:193880 - 6-Hydroxyemedastine

ChEBI IDCHEBI:193880
ChEBI Name6-Hydroxyemedastine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26N4O2
Net Charge0
Average Mass318.421
Monoisotopic Mass318.20558
SMILESCCOCCn1c(N2CCCN(C)CC2)nc2ccc(O)cc21
InChIInChI=1S/C17H26N4O2/c1-3-23-12-11-21-16-13-14(22)5-6-15(16)18-17(21)20-8-4-7-19(2)9-10-20/h5-6,13,22H,3-4,7-12H2,1-2H3
InChIKeyYDYQGSLFCJVMNN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
6-Hydroxyemedastine (CHEBI:193880) is a benzimidazoles (CHEBI:22715)
IUPAC Name 
3-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazol-5-ol
Manual XrefsDatabases
HMDB0060785HMDB
30778590ChemSpider