Preferred Name |
buspirone |
|
Synonyms |
|
|
Definitions |
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. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_3223 |
|
charge |
0 |
|
definition |
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. |
|
formula |
C21H31N5O2 |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_35474 http://purl.obolibrary.org/obo/CHEBI_76779 |
|
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 |
|
is_conjugate_base_of | ||
label |
buspirone |
|
mass |
385.504 |
|
monoisotopicmass |
385.24778 |
|
prefixIRI |
CHEBI:3223 |
|
prefLabel |
buspirone |
|
smiles |
C=1N=C(N=CC1)N2CCN(CC2)CCCCN3C(CC4(CC3=O)CCCC4)=O |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_46845 http://purl.obolibrary.org/obo/CHEBI_38166 http://purl.obolibrary.org/obo/CHEBI_35624 http://purl.obolibrary.org/obo/CHEBI_46848 |