EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:3224 - buspirone hydrochloride

ChEBI IDCHEBI:3224
ChEBI Namebuspirone hydrochloride
Stars
DefinitionA hydrochloride salt resulting from the reaction of equimolar amounts of buspirone and hydrogen chloride.
Last Modified1 June 2016
DownloadsMolfile
FormulaC21H31N5O2.HCl
Net Charge0
Average Mass421.973
Monoisotopic Mass421.22445
SMILESCl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H31N5O2.ClH/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9H,1-4,6-7,10-17H2;1H
InChIKeyRICLFGYGYQXUFH-UHFFFAOYSA-N
Roles Classification
Biological Roles:
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor  Any EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of prolyl oligopeptidase (EC 3.4.21.26).
serotonergic agonist  An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.
Applications:
serotonergic agonist  An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.
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.
sedative  A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
ChEBI Ontology
Outgoing Relation(s)
buspirone hydrochloride (CHEBI:3224) has part buspirone(1+) (CHEBI:132102)
buspirone hydrochloride (CHEBI:3224) has role anxiolytic drug (CHEBI:35474)
buspirone hydrochloride (CHEBI:3224) has role EC 3.4.21.26 (prolyl oligopeptidase) inhibitor (CHEBI:76779)
buspirone hydrochloride (CHEBI:3224) has role sedative (CHEBI:35717)
buspirone hydrochloride (CHEBI:3224) has role serotonergic agonist (CHEBI:35941)
buspirone hydrochloride (CHEBI:3224) is a hydrochloride (CHEBI:36807)
IUPAC Name 
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione hydrochloride
Synonyms  Source
N-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)butyl)-1,1-cyclopentanediacetamide monohydrochlorideChemIDplus
1-[4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl]-4-(pyrimidin-2-yl)piperazin-1-ium chlorideIUPAC
Brand Name  Source
BusparKEGG DRUG
Manual XrefsDatabases
DB00490DrugBank
D00702KEGG DRUG
Registry NumbersSources
Reaxys:5369604Reaxys
CAS:33386-08-2ChemIDplus