OntologiesslmclassesCHEBI:2950   
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azelastineImported
http://purl.obolibrary.org/obo/CHEBI_2950

A phthalazine compound having an oxo substituent at the 1-position, a 1-methylazepan-4-yl group at the 2-position and a 4-chlorobenzyl substituent at the 4-position.

Defined bychebi
Also appears infideodron
Exact Synonyms
4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one
Related Synonyms
4-(p-Chlorobenzyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1-(2H)-phthalazinone
azelastina
azelastine
azelastinum
class Information
charge

0

formula

C22H24ClN3O

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3

inchikey

MBUVEWMHONZEQD-UHFFFAOYSA-N

in_subset

3_STAR

mass

381.89800

monoisotopicmass

381.16079

smiles

CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O

class Relations