EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:176786 - setiptiline maleate

ChEBI IDCHEBI:176786
ChEBI Namesetiptiline maleate
Stars
DefinitionA maleate salt obtained by reaction of setiptiline with one equivalent of maleic acid.
Last Modified9 July 2021
SubmitterAdnan
DownloadsMolfile
FormulaC19H19N.C4H4O4
Net Charge0
Average Mass377.440
Monoisotopic Mass377.16271
SMILESCN1CCC2=C(C1)c1ccccc1Cc1ccccc12.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C19H19N.C4H4O4/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyAVPIBVPBCWBXIU-BTJKTKAUSA-N
Roles Classification
Biological Roles:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic 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.
Applications:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic 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.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
ChEBI Ontology
Outgoing Relation(s)
setiptiline maleate (CHEBI:176786) has part setiptiline(1+) (CHEBI:176784)
setiptiline maleate (CHEBI:176786) has role serotonergic antagonist (CHEBI:48279)
setiptiline maleate (CHEBI:176786) has role α-adrenergic antagonist (CHEBI:37890)
setiptiline maleate (CHEBI:176786) is a maleate salt (CHEBI:50221)
setiptiline maleate (CHEBI:176786) is a tetracyclic antidepressant (CHEBI:50940)
IUPAC Name 
2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine (2Z)-but-2-enedioate
Synonym  Source
2,3,4,9-tetrahydro-2-methyl-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridyl maleateChemIDplus
Brand Name  Source
TecipulKEGG DRUG
Manual XrefsDatabases
DBSALT001293DrugBank
D02034KEGG DRUG
4445618ChemSpider
CN101851201Patent
Registry NumbersSources
CAS:85650-57-3ChemIDplus
Citations