OntologieschebiclassesCHEBI:3223   
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buspirone
http://purl.obolibrary.org/obo/CHEBI_3223

An 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 N(4) position.

Also appears infideoprideslmefodron + 1
Exact Synonyms
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
Buspirone
Related Synonyms
8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione
buspirona
buspirone
buspironum
class Information
charge

0

formula

C21H31N5O2

has_obo_namespace

chebi_ontology

inchi

InChI=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

inchikey

QWCRAEMEVRGPNT-UHFFFAOYSA-N

in_subset

3_STAR

mass

385.504

monoisotopicmass

385.24778

smiles

C=1N=C(N=CC1)N2CCN(CC2)CCCCN3C(CC4(CC3=O)CCCC4)=O

class Relations