buspirone (CHEBI:3223)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	buspirone

ChEBI ID	CHEBI:3223

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 N⁴ position.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

more structures >>

Wikipedia	License

Read full article at Wikipedia

Formula

C21H31N5O2

Net Charge

Average Mass

385.504

Monoisotopic Mass

385.24778

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

SMILES

C=1N=C(N=CC1)N2CCN(CC2)CCCCN3C(CC4(CC3=O)CCCC4)=O

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	serotonergic agonist An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders. EC 3.4.21.26 (prolyl oligopeptidase) inhibitor Any EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of prolyl oligopeptidase (EC 3.4.21.26).

Application(s):	serotonergic agonist An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders. sedative A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. anxiolytic drug Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions.

ChEBI Ontology
Outgoing	buspirone (CHEBI:3223) has role anxiolytic drug (CHEBI:35474) buspirone (CHEBI:3223) has role EC 3.4.21.26 (prolyl oligopeptidase) inhibitor (CHEBI:76779) buspirone (CHEBI:3223) has role sedative (CHEBI:35717) buspirone (CHEBI:3223) has role serotonergic agonist (CHEBI:35941) buspirone (CHEBI:3223) is a N-alkylpiperazine (CHEBI:46845) buspirone (CHEBI:3223) is a N-arylpiperazine (CHEBI:46848) buspirone (CHEBI:3223) is a azaspiro compound (CHEBI:35624) buspirone (CHEBI:3223) is a organic heteropolycyclic compound (CHEBI:38166) buspirone (CHEBI:3223) is a piperidones (CHEBI:48589) buspirone (CHEBI:3223) is a pyrimidines (CHEBI:39447) buspirone (CHEBI:3223) is conjugate base of buspirone(1+) (CHEBI:132102)

Incoming	buspirone(1+) (CHEBI:132102) is conjugate acid of buspirone (CHEBI:3223)

IUPAC Name

8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

Synonyms	Sources
8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione	ChemIDplus
Buspirone	KEGG COMPOUND

Last Modified

21 February 2018

General Comment
2014-06-26	Buspirone can be found in blood and urine samples of individuals who have taken this drug.