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CHEBI:197264 - Desmethylazelastine

ChEBI IDCHEBI:197264
ChEBI NameDesmethylazelastine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22ClN3O
Net Charge0
Average Mass367.880
Monoisotopic Mass367.14514
SMILESO=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCNCC1
InChIInChI=1S/C21H22ClN3O/c22-16-9-7-15(8-10-16)14-20-18-5-1-2-6-19(18)21(26)25(24-20)17-4-3-12-23-13-11-17/h1-2,5-10,17,23H,3-4,11-14H2
InChIKeyWRYCMIFVXDQIKN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Desmethylazelastine (CHEBI:197264) is a phthalazines (CHEBI:38768)
IUPAC Name 
2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one
Manual XrefsDatabases
142721ChemSpider
HMDB0060534HMDB