tandospirone (CHEBI:145673)

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CHEBI:145673 - tandospirone

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ChEBI ID	CHEBI:145673
ChEBI Name	tandospirone
Stars
Definition	A dicarboximide that is (3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione which is substituted by a 4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl group at position 2. It is a potent and selective 5-HT_1A receptor partial agonist (Ki = 27 nM).
Last Modified	16 December 2019
Submitter	Adnan
Downloads	Molfile

Formula	C21H29N5O2
Net Charge	0
Average Mass	383.496
Monoisotopic Mass	383.23213
SMILES	[H][C@@]12CC[C@@]([H])(C1)[C@@]1([H])C(=O)N(CCCCN3CCN(c4ncccn4)CC3)C(=O)[C@@]21[H]
InChI	InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
InChIKey	CEIJFEGBUDEYSX-FZDBZEDMSA-N

Wikipedia

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Applications:	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. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.

ChEBI Ontology

Outgoing Relation(s)
	tandospirone (CHEBI:145673) has role antidepressant (CHEBI:35469)
	tandospirone (CHEBI:145673) has role anxiolytic drug (CHEBI:35474)
	tandospirone (CHEBI:145673) is a N-alkylpiperazine (CHEBI:46845)
	tandospirone (CHEBI:145673) is a N-arylpiperazine (CHEBI:46848)
	tandospirone (CHEBI:145673) is a bridged compound (CHEBI:35990)
	tandospirone (CHEBI:145673) is a dicarboximide (CHEBI:35356)
	tandospirone (CHEBI:145673) is a pyrimidines (CHEBI:39447)
	tandospirone (CHEBI:145673) is conjugate base of tandospirone(1+) (CHEBI:145674)
Incoming Relation(s)
Incoming Relation(s)	tandospirone(1+) (CHEBI:145674) is conjugate acid of tandospirone (CHEBI:145673)

IUPAC Name
(3aR,4S,7R,7aS)-2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

INNs	Source
tandospirona	WHO MedNet
tandospirone	WHO MedNet
tandospironum	WHO MedNet
tandospirone	WHO MedNet

Synonyms	Source
SM 3997	ChEBI
SM-3997	ChEBI

Manual Xrefs	Databases
DB12833	DrugBank
D08561	KEGG DRUG
Tandospirone	Wikipedia
2563	DrugCentral

Registry Numbers	Sources
CAS:87760-53-0	ChemIDplus

Citations