CHEBI:175736 - N-Desmethyleletriptan

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ChEBI Name N-Desmethyleletriptan
ChEBI ID CHEBI:175736
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H24N2O2S
Net Charge 0
Average Mass 368.500
Monoisotopic Mass 368.15585
InChI InChI=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
InChIKey HHTDENYTSCXDFO-GOSISDBHSA-N
SMILES S(=O)(=O)(CCC1=CC=2C(C[C@@H]3NCCC3)=CNC2C=C1)C4=CC=CC=C4
ChEBI Ontology
Outgoing N-Desmethyleletriptan (CHEBI:175736) is a indoles (CHEBI:24828)
IUPAC Name
5-[2-(benzenesulonyl)ethyl]-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
Manual Xrefs Databases
18858046 ChemSpider
HMDB0013919 HMDB
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Registry Number Type Source
153525-55-4 CAS Registry Number ChemIDplus