CHEBI:175976 - Eletriptan N-oxide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Eletriptan N-oxide
ChEBI ID CHEBI:175976
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26N2O3S
Net Charge 0
Average Mass 398.520
Monoisotopic Mass 398.16641
InChI InChI=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
InChIKey QXXCIRSBRHOOJE-PHSANKKPSA-N
SMILES S(=O)(=O)(CCC1=CC=2C(C[C@@H]3[N+]([O-])(CCC3)C)=CNC2C=C1)C4=CC=CC=C4
ChEBI Ontology
Outgoing 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 Xrefs Databases
35031812 ChemSpider
HMDB0060898 HMDB
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