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CHEBI:64162 - N-methylquipazine dimaleate

Default Structure
ChEBI IDCHEBI:64162
ChEBI NameN-methylquipazine dimaleate
Stars
ASCII NameN-methylquipazine dimaleate
DefinitionA maleate salt obtained by reaction of N-methylquipazine with two equivalents of maleic acid. A 5-HT3 agonist. Has almost the same affinity for 5-HT3 sites as quipazine but unlike the latter, does not bind to 5-HT1B sites.
Last Modified12 March 2012
SubmitterSteve
DownloadsMolfile
Formula4H.C14H17N3.2C4H2O4
Net Charge0
Average Mass459.455
Monoisotopic Mass459.16416
SMILESCN1CCN(c2ccc3ccccc3n2)CC1.O=C([O-])/C=C\C(=O)[O-].O=C([O-])/C=C\C(=O)[O-].[H+].[H+].[H+].[H+]
InChIInChI=1S/C14H17N3.2C4H4O4/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14;2*5-3(6)1-2-4(7)8/h2-7H,8-11H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKeyHNSITEGFVDCKMF-SPIKMXEPSA-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.
Applications:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
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)
N-methylquipazine dimaleate (CHEBI:64162) has part N-methylquipazine (CHEBI:64164)
N-methylquipazine dimaleate (CHEBI:64162) has role prodrug (CHEBI:50266)
N-methylquipazine dimaleate (CHEBI:64162) has role serotonergic agonist (CHEBI:35941)
N-methylquipazine dimaleate (CHEBI:64162) is a maleate salt (CHEBI:50221)
IUPAC Name 
2-(4-methylpiperazin-1-yl)quinoline di[(2Z)-but-2-enedioate]
Synonyms  Source
2-(4-methylpiperazin-1-yl)quinoline dimaleateChEBI
2-(4-methylpiperazin-1-yl)quinoline maleateChEBI
N-methylquipazine maleateChEBI
Registry NumbersSources
Reaxys:7614127Reaxys