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Neuroscience Information Framework (NIF) Standard Ontology
| Preferred Name | buspirone | |
| Synonyms |
buspirone buspironum 8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione buspirona 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione Buspirone |
|
| 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 |
|
| alternative label |
buspirone buspironum 8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione buspirona 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione Buspirone
|
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D07593 PMID:15876901 Patent:DE2057845 Wikipedia:Buspirone Patent:US3717634 PMID:8638511 HMDB:HMDB0014633 PMID:20825390 PMID:26746121 Drug_Central:437 LINCS:LSM-4105 Beilstein:964904 Reaxys:964904 DrugBank:DB00490 CAS:36505-84-7 KEGG:C06861
|
|
| 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 characteristic |
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 role |
http://purl.obolibrary.org/obo/CHEBI_35474 http://purl.obolibrary.org/obo/CHEBI_76779 |
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
buspirone buspironum 8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione buspirona
|
|
| 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
|
|
| mass |
385.504
|
|
| monoisotopicmass |
385.24778
|
|
| notation |
CHEBI:3223
|
|
| note |
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.
|
|
| preferred label |
buspirone
|
|
| 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 |
| Delete | Subject | Author | Type | Created |
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