loading...| Preferred Name |
Buspirone |
|
| Synonyms |
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione Buspirone 8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione buspirona buspirone buspironum |
|
| 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 |
|
| database_cross_reference |
KEGG:C06861 HMDB:HMDB0014633 PMID:8638511 PMID:26746121 PMID:20825390 Patent:US3717634 CAS:36505-84-7 LINCS:LSM-4105 Wikipedia:Buspirone KEGG:D07593 Beilstein:964904 Patent:DE2057845 DrugBank:DB00490 PMID:15876901 Reaxys:964904 Drug_Central:437 |
|
| 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 |
|
| has_exact_synonym |
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione Buspirone |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione buspirona buspirone buspironum |
|
| has_RxCUI |
1827 |
|
| id |
CHEBI:3223 |
|
| in_subset | ||
| 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 buspirone |
|
| mass |
385.504 |
|
| monoisotopicmass |
385.24778 |
|
| notation |
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 |