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CHEBI:64147 - 5-nonyloxytryptamine oxalate

ChEBI IDCHEBI:64147
ChEBI Name5-nonyloxytryptamine oxalate
Stars
DefinitionAn oxalate salt obtained by reaction of 5-nonyloxytryptamine with one equivalent of oxalic acid. 5-HT1B selective agonist, several times more potent than sumatriptan and inactive as a 5-HT1A agonist (Ki at 5-HT1B = 1 nM, selectivity over 5-HT1A > 300-fold).
Last Modified9 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC19H30N2O.C2H2O4
Net Charge0
Average Mass392.496
Monoisotopic Mass392.23112
SMILESCCCCCCCCCOc1ccc2ncc(CCN)c2c1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2O.C2H2O4/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19;3-1(4)2(5)6/h9-10,14-15,21H,2-8,11-13,20H2,1H3;(H,3,4)(H,5,6)
InChIKeyJORSCLBFSAAOFR-UHFFFAOYSA-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)
5-nonyloxytryptamine oxalate (CHEBI:64147) has part 5-nonyloxytryptaminium(1+) (CHEBI:64150)
5-nonyloxytryptamine oxalate (CHEBI:64147) has role serotonergic agonist (CHEBI:35941)
5-nonyloxytryptamine oxalate (CHEBI:64147) is a oxalate salt (CHEBI:64148)
IUPAC Name 
2-[5-(nonyloxy)-1H-indol-3-yl]ethanamine ethanedioate
Synonyms  Source
O-nonylserotonin oxalateChEBI
3-(2-aminoethyl)-5-nonyloxyindole oxalateChEBI
2-[5-(nonyloxy)-1H-indol-3-yl]ethanamine oxalateChEBI
2-[5-(nonyloxy)-1H-indol-3-yl]ethanaminium hydrogen oxalateIUPAC
Registry NumbersSources
Reaxys:7065207Reaxys