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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | buspirone hydrochloride | |
| Synonyms |
1-[4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl]-4-(pyrimidin-2-yl)piperazin-1-ium chloride Buspar N-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)butyl)-1,1-cyclopentanediacetamide monohydrochloride 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione hydrochloride |
|
| Definitions |
A hydrochloride salt resulting from the reaction of equimolar amounts of buspirone and hydrogen chloride. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3224 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:33386-08-2 KEGG:D00702 Reaxys:5369604 DrugBank:DB00490
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|
| definition |
A hydrochloride salt resulting from the reaction of equimolar amounts of buspirone and hydrogen chloride.
|
|
| formula |
C21H32ClN5O2 C21H31N5O2.HCl
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|
| has part | ||
| 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 hydrochloride
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
1-[4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl]-4-(pyrimidin-2-yl)piperazin-1-ium chloride Buspar N-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)butyl)-1,1-cyclopentanediacetamide monohydrochloride
|
|
| id |
CHEBI:3224
|
|
| in_subset | ||
| inchi |
InChI=1S/C21H31N5O2.ClH/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;1H
|
|
| inchikey |
RICLFGYGYQXUFH-UHFFFAOYSA-N
|
|
| label |
buspirone hydrochloride
|
|
| mass |
421.965
|
|
| monoisotopicmass |
421.22445
|
|
| notation |
CHEBI:3224
|
|
| prefLabel |
buspirone hydrochloride
|
|
| smiles |
C=1N=C(N=CC1)N2CCN(CC2)CCCCN3C(CC4(CC3=O)CCCC4)=O.Cl
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| treeView | ||
| subClassOf |
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