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CHEBI:143428 - N-demethylmirtazapine

Default Structure
ChEBI IDCHEBI:143428
ChEBI NameN-demethylmirtazapine
Stars
ASCII NameN-demethylmirtazapine
DefinitionA benzazepine metabolite resulting from demethylation of the antidpressant, mirtazapine.
Last Modified3 June 2019
Submittermwilliams
DownloadsMolfile
FormulaC16H17N3
Net Charge0
Average Mass251.333
Monoisotopic Mass251.14225
SMILESc1ccc2c(c1)Cc1cccnc1N1CCNCC21
InChIInChI=1S/C16H17N3/c1-2-6-14-12(4-1)10-13-5-3-7-18-16(13)19-9-8-17-11-15(14)19/h1-7,15,17H,8-11H2
InChIKeyFGLAMNFOHWVQOH-UHFFFAOYSA-N
Roles Classification
Biological Roles:
histamine antagonist  Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.
alpha-adrenergic antagonist  An agent that binds to but does not activate α-adrenergic receptors thereby blocking the actions of endogenous or exogenous α-adrenergic agonists. α-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
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:
anxiolytic drug  Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions.
histamine antagonist  Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.
alpha-adrenergic antagonist  An agent that binds to but does not activate α-adrenergic receptors thereby blocking the actions of endogenous or exogenous α-adrenergic agonists. α-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
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.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
ChEBI Ontology
Outgoing Relation(s)
N-demethylmirtazapine (CHEBI:143428) has role anxiolytic drug (CHEBI:35474)
N-demethylmirtazapine (CHEBI:143428) has role H1-receptor antagonist (CHEBI:37955)
N-demethylmirtazapine (CHEBI:143428) has role histamine antagonist (CHEBI:37956)
N-demethylmirtazapine (CHEBI:143428) has role human xenobiotic metabolite (CHEBI:76967)
N-demethylmirtazapine (CHEBI:143428) has role serotonergic antagonist (CHEBI:48279)
N-demethylmirtazapine (CHEBI:143428) has role α-adrenergic antagonist (CHEBI:37890)
N-demethylmirtazapine (CHEBI:143428) is a benzazepine (CHEBI:35676)
N-demethylmirtazapine (CHEBI:143428) is a tetracyclic antidepressant (CHEBI:50940)
IUPAC Name 
1,2,3,4,10,14b-hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine
Synonyms  Source
demethylmirtazapineChEBI
desmethyl mirtazapineChemIDplus
desmethylmirtazapineChemIDplus
N-demethylmirtazapineChemIDplus
N-desmethylmirtazapineChemIDplus
normirtazapineChemIDplus
Manual XrefsDatabases
HMDB0060956HMDB
Registry NumbersSources
Beilstein:3976057Beilstein
CAS:61337-68-6ChemIDplus
CAS:61337-68-6NIST Chemistry WebBook
Citations