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CHEBI:3223 - buspirone

ChEBI IDCHEBI:3223
ChEBI Namebuspirone
Stars
DefinitionAn azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N4 position.
Last Modified21 February 2018
DownloadsMolfile

FormulaC21H31N5O2
Net Charge0
Average Mass385.512
Monoisotopic Mass385.24778
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H31N5O2/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
InChIKeyQWCRAEMEVRGPNT-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
INNs  Source
buspironeChemIDplus
buspironum  laWHO MedNet
buspirone  frWHO MedNet
buspirona  esWHO MedNet
Synonyms  Source
BuspironeKEGG COMPOUND
8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dioneChemIDplus
Manual XrefsDatabases
C06861KEGG COMPOUND
DB00490DrugBank
D07593KEGG DRUG
DE2057845Patent
US3717634Patent
BuspironeWikipedia
HMDB0014633HMDB
LSM-4105LINCS
437DrugCentral
Registry NumbersSources
Reaxys:964904Reaxys
CAS:36505-84-7KEGG COMPOUND
CAS:36505-84-7ChemIDplus
Citations