CHEBI:2946 - azatadine

ChEBI IDCHEBI:2946
ChEBI Nameazatadine
Stars
DefinitionA benzo[5,6]cyclohepta[1,2-b]pyridine having a 1-methylpiperidin-4-ylidene group at the 11-position.
Last Modified22 February 2017
DownloadsMolfile
FormulaC20H22N2
Net Charge0
Average Mass290.410
Monoisotopic Mass290.17830
SMILESCN1CCC(=C2c3ccccc3CCc3cccnc32)CC1
InChIInChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3
InChIKeySEBMTIQKRHYNIT-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
H1-receptor antagonist  H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
Applications:
H1-receptor antagonist  H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
anti-allergic agent  A drug used to treat allergic reactions.
ChEBI Ontology
Outgoing Relation(s)
azatadine (CHEBI:2946) has role anti-allergic agent (CHEBI:50857)
azatadine (CHEBI:2946) has role H1-receptor antagonist (CHEBI:37955)
azatadine (CHEBI:2946) is a benzocycloheptapyridine (CHEBI:48593)
azatadine (CHEBI:2946) is a tertiary amine (CHEBI:32876)
Incoming Relation(s)
azatadine maleate (CHEBI:2947) has part azatadine (CHEBI:2946)
IUPAC Name 
11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
INNs  Source
azatadineKEGG DRUG
azatadinaDrugBank
azatadinumDrugBank
Synonyms  Source
6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridineChemIDplus
11-(1-Methyl-4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridineNIST Chemistry WebBook
Manual XrefsDatabases
C07774KEGG COMPOUND
D07482KEGG DRUG
DB00719DrugBank
BE647043Patent
US3326924Patent
AzatadineWikipedia
268DrugCentral
Registry NumbersSources
Beilstein:889600Beilstein
CAS:3964-81-6KEGG COMPOUND
CAS:3964-81-6KEGG DRUG
CAS:3964-81-6DrugBank
CAS:3964-81-6NIST Chemistry WebBook
CAS:3964-81-6ChemIDplus