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CHEBI:167797 - Amisulpride N-oxide

Default Structure
ChEBI IDCHEBI:167797
ChEBI NameAmisulpride N-oxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H27N3O5S
Net Charge0
Average Mass385.486
Monoisotopic Mass385.16714
SMILESCC[N+]1([O-])CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC
InChIInChI=1S/C17H27N3O5S/c1-4-20(22)8-6-7-12(20)11-19-17(21)13-9-16(26(23,24)5-2)14(18)10-15(13)25-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
InChIKeyLLIKIPAUZJTRGB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Amisulpride N-oxide (CHEBI:167797) is a benzamides (CHEBI:22702)
IUPAC Name 
4-amino-N-[(1-ethyl-1-oxidopyrrolidin-1-ium-2-yl)methyl]-5-ethylsulonyl-2-methoxybenzamide
Manual XrefsDatabases
29787171ChemSpider