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CHEBI:51044 - tegaserod maleate

ChEBI IDCHEBI:51044
ChEBI Nametegaserod maleate
Stars
Last Modified5 March 2012
SubmitterInma Spiteri
DownloadsMolfile
Formula2H.C16H23N5O.C4H2O4
Net Charge0
Average Mass417.466
Monoisotopic Mass417.20122
SMILESCCCCCNC(=N)N/N=C/c1cnc2ccc(OC)cc12.O=C([O-])/C=C\C(=O)[O-].[H+].[H+]
InChIInChI=1S/C16H23N5O.C4H4O4/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;5-3(6)1-2-4(7)8/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21);1-2H,(H,5,6)(H,7,8)/b20-11+;2-1-
InChIKeyCPDDZSSEAVLMRY-FEQFWAPWSA-N
Roles Classification
Biological Role:
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.
Application:
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.
ChEBI Ontology
Outgoing Relation(s)
tegaserod maleate (CHEBI:51044) has part tegaserod (CHEBI:51043)
tegaserod maleate (CHEBI:51044) has role serotonergic agonist (CHEBI:35941)
tegaserod maleate (CHEBI:51044) is a maleate salt (CHEBI:50221)
IUPAC Name 
2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide (2Z)-but-2-enedioic acid
Synonyms  Source
3-(5-Methoxy-1H-indol-3-ylmethylene)-N-pentylcarbazimidamide hydrogen maleateChemIDplus
SDZ-HTF 919ChemIDplus
Manual XrefsDatabases
D02730KEGG DRUG
DB01079DrugBank
Registry NumbersSources
CAS:189188-57-6ChemIDplus