CHEBI:51044 - tegaserod maleate

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ChEBI Name tegaserod maleate
ChEBI ID CHEBI:51044
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:500962, ZINC000002040890
Download Molfile XML SDF
Formulae C16H23N5O.C4H4O4
C20H27N5O5
Net Charge 0
Average Mass 417.45890
Monoisotopic Mass 417.20122
InChI InChI=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-
InChIKey CPDDZSSEAVLMRY-FEQFWAPWSA-N
SMILES [H+].[H+].[O-]C(=O)\C=C/C([O-])=O.CCCCCNC(=N)N\N=C\c1c[nH]c2ccc(OC)cc12
Roles Classification
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.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
3-(5-Methoxy-1H-indol-3-ylmethylene)-N-pentylcarbazimidamide hydrogen maleate ChemIDplus
SDZ-HTF 919 ChemIDplus
Manual Xrefs Databases
D02730 KEGG DRUG
DB01079 DrugBank
View more database links
Registry Number Type Source
189188-57-6 CAS Registry Number ChemIDplus
Last Modified
05 March 2012