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CHEBI:32182 - tandospirone citrate

ChEBI IDCHEBI:32182
ChEBI Nametandospirone citrate
Stars
DefinitionA citrate salt of tandospirone , comprising equimolar amounts of citric acid and tandospirone. It is an anxiolytic drug used in the treatment of anxiety disorders.
Last Modified16 December 2019
DownloadsMolfile
FormulaC21H29N5O2.C6H8O7
Net Charge0
Average Mass575.619
Monoisotopic Mass575.25913
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[H][C@@]12CC[C@@]([H])(C1)[C@@]1([H])C(=O)N(CCCCN3CCN(c4ncccn4)CC3)C(=O)[C@@]21[H]
InChIInChI=1S/C21H29N5O2.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h3,6-7,15-18H,1-2,4-5,8-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t15-,16+,17+,18-;
InChIKeyDMLGUJHNIWGCKM-DPFKZJTMSA-N
Roles Classification
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 citrate (CHEBI:32182) has part tandospirone(1+) (CHEBI:145674)
tandospirone citrate (CHEBI:32182) has role antidepressant (CHEBI:35469)
tandospirone citrate (CHEBI:32182) has role anxiolytic drug (CHEBI:35474)
tandospirone citrate (CHEBI:32182) is a citrate salt (CHEBI:50744)
Synonyms  Source
tandospirone citrateKEGG COMPOUND
SM-3997ChemIDplus
SM 3997KEGG COMPOUND
metanopirone citrateDrugCentral
SM-3997 citrateChEBI
Brand Name  Source
SedielKEGG DRUG
Manual XrefsDatabases
D01992KEGG DRUG
Registry NumbersSources
CAS:112457-95-1ChemIDplus
Citations