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CHEBI:175566 - desmethylastemizole

ChEBI IDCHEBI:175566
ChEBI Namedesmethylastemizole
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29FN4O
Net Charge0
Average Mass444.554
Monoisotopic Mass444.23254
SMILESOc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30)
InChIKeyLAGYWHSFHIMTPE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
desmethylastemizole (CHEBI:175566) is a benzimidazoles (CHEBI:22715)
IUPAC Name 
4-[2-[4-[[1-[(4-luorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]phenol
Manual XrefsDatabases
HMDB0061013HMDB
137238ChemSpider
Registry NumbersSources
CAS:73736-50-2ChemIDplus