The Drug Ontology

Last uploaded: December 20, 2024
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Id http://purl.obolibrary.org/obo/CHEBI_3223
http://purl.obolibrary.org/obo/CHEBI_3223
Preferred Name

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.
Synonyms
8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione
buspirona
buspirone
buspironum
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
Buspirone
Type http://www.w3.org/2002/07/owl#Class

All Properties

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.
label
buspirone
prefLabel
buspirone
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
Patent:DE2057845
DrugBank:DB00490
PMID:15876901
Reaxys:964904
Drug_Central:437
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notation
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
has_related_synonym
8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione
buspirona
buspirone
buspironum
id
CHEBI:3223
charge
0
has_obo_namespace
chebi_ontology
formula
C21H31N5O2
subClassOf
is conjugate base of
inchikey
QWCRAEMEVRGPNT-UHFFFAOYSA-N
mass
385.504
monoisotopicmass
385.24778
type
smiles
C=1N=C(N=CC1)N2CCN(CC2)CCCCN3C(CC4(CC3=O)CCCC4)=O
has_RxCUI
1827
has role
has_exact_synonym
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
Buspirone
has characteristic
alternative label
8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione
buspirona
buspirone
buspironum
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
Buspirone
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