CHEBI:197264 - Desmethylazelastine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Desmethylazelastine
ChEBI ID CHEBI:197264
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22ClN3O
Net Charge 0
Average Mass 367.880
Monoisotopic Mass 367.14514
InChI InChI=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
InChIKey WRYCMIFVXDQIKN-UHFFFAOYSA-N
SMILES ClC1=CC=C(CC2=NN(C3CCCNCC3)C(=O)C=4C2=CC=CC4)C=C1
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing Desmethylazelastine (CHEBI:197264) is a phthalazines (CHEBI:38768)
IUPAC Name
2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one
Manual Xrefs Databases
142721 ChemSpider
HMDB0060534 HMDB
View more database links