EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175976 - Eletriptan N-oxide

ChEBI IDCHEBI:175976
ChEBI NameEletriptan N-oxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26N2O3S
Net Charge0
Average Mass398.528
Monoisotopic Mass398.16641
SMILESC[N+]1([O-])CCC[C@@H]1Cc1cnc2ccc(CCS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C22H26N2O3S/c1-24(25)12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-28(26,27)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-,24?/m1/s1
InChIKeyQXXCIRSBRHOOJE-PHSANKKPSA-N
ChEBI Ontology
Outgoing Relation(s)
Eletriptan N-oxide (CHEBI:175976) is a indoles (CHEBI:24828)
IUPAC Name 
5-[2-(benzenesulonyl)ethyl]-3-[[(2R)-1-methyl-1-oxidopyrrolidin-1-ium-2-yl]methyl]-1H-indole
Manual XrefsDatabases
HMDB0060898HMDB
35031812ChemSpider