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The Drug Ontology
| Preferred Name | azelastine | |
| Synonyms |
azelastinum 4-(p-Chlorobenzyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1-(2H)-phthalazinone azelastina azelastine 4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2950 |
|
| alternative label |
azelastinum 4-(p-Chlorobenzyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1-(2H)-phthalazinone azelastina azelastine 4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one
|
|
| charge |
0
|
|
| database_cross_reference |
Patent:US3813384 LINCS:LSM-5127 KEGG:D07483 KEGG:C07768 CAS:58581-89-8 Wikipedia:Azelastine PMID:22339679 Reaxys:900747 Patent:BE778269 Drug_Central:271 DrugBank:DB00972
|
|
| definition |
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.
|
|
| formula |
C22H24ClN3O
|
|
| has characteristic |
http://purl.obolibrary.org/obo/CHEBI_37955 http://purl.obolibrary.org/obo/CHEBI_64964 http://purl.obolibrary.org/obo/CHEBI_50427 http://purl.obolibrary.org/obo/CHEBI_35523 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_37955 http://purl.obolibrary.org/obo/CHEBI_64964 http://purl.obolibrary.org/obo/CHEBI_50427 http://purl.obolibrary.org/obo/CHEBI_35523 |
|
| has_exact_synonym |
4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
azelastinum 4-(p-Chlorobenzyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1-(2H)-phthalazinone azelastina azelastine
|
|
| has_RxCUI |
18603
|
|
| id |
CHEBI:2950
|
|
| in_subset | ||
| 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
|
|
| label |
azelastine
|
|
| mass |
381.89800
|
|
| monoisotopicmass |
381.16079
|
|
| notation |
CHEBI:2950
|
|
| prefLabel |
azelastine
|
|
| smiles |
CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38768 |
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