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CHEBI:175736 - N-Desmethyleletriptan

ChEBI IDCHEBI:175736
ChEBI NameN-Desmethyleletriptan
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24N2O2S
Net Charge0
Average Mass368.502
Monoisotopic Mass368.15585
SMILESO=S(=O)(CCc1ccc2ncc(C[C@H]3CCCN3)c2c1)c1ccccc1
InChIInChI=1S/C21H24N2O2S/c24-26(25,19-6-2-1-3-7-19)12-10-16-8-9-21-20(13-16)17(15-23-21)14-18-5-4-11-22-18/h1-3,6-9,13,15,18,22-23H,4-5,10-12,14H2/t18-/m1/s1
InChIKeyHHTDENYTSCXDFO-GOSISDBHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-Desmethyleletriptan (CHEBI:175736) is a indoles (CHEBI:24828)
IUPAC Name 
5-[2-(benzenesulonyl)ethyl]-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
Manual XrefsDatabases
HMDB0013919HMDB
18858046ChemSpider
Registry NumbersSources
CAS:153525-55-4ChemIDplus