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CHEBI:141549 - gevotroline hydrochloride

ChEBI IDCHEBI:141549
ChEBI Namegevotroline hydrochloride
Stars
DefinitionA hydrochloride salt resulting from the reaction of equimolar amounts of gevotroline and hydrogen chloride.
Last Modified4 October 2018
Submittermwilliams
DownloadsMolfile
FormulaC19H20FN3.HCl
Net Charge0
Average Mass345.849
Monoisotopic Mass345.14080
SMILESCl.Fc1ccc2nc3c(c2c1)CN(CCCc1cccnc1)CC3
InChIInChI=1S/C19H20FN3.ClH/c20-15-5-6-18-16(11-15)17-13-23(10-7-19(17)22-18)9-2-4-14-3-1-8-21-12-14;/h1,3,5-6,8,11-12,22H,2,4,7,9-10,13H2;1H
InChIKeyKJROJWRPNPSEGV-UHFFFAOYSA-N
Roles Classification
Biological Role:
dopamine receptor D2 antagonist  An antagonist that binds to and deactivates the dopamine receptor D2, the main receptor for all antipsychotic drugs.
Application:
antipsychotic agent  Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
ChEBI Ontology
Outgoing Relation(s)
gevotroline hydrochloride (CHEBI:141549) has part gevotroline(1+) (CHEBI:142392)
gevotroline hydrochloride (CHEBI:141549) has role antipsychotic agent (CHEBI:35476)
gevotroline hydrochloride (CHEBI:141549) has role dopamine receptor D2 antagonist (CHEBI:131787)
gevotroline hydrochloride (CHEBI:141549) is a hydrochloride (CHEBI:36807)
IUPAC Name 
8-fluoro-2-[3-(pyridin-3-yl)propyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride
Synonyms  Source
gevotroline HClChemIDplus
8-fluoro-2,3,4,5-tetrahydro-2-(3-(3-pyridyl)propyl)-1H-pyrido(4,3-b)indole monohydrochlorideChemIDplus
Manual XrefsDatabases
54578ChemSpider
D02663KEGG DRUG
Registry NumbersSources
Reaxys:15397146Reaxys
CAS:112243-58-0KEGG DRUG
CAS:112243-58-0ChemIDplus
Citations