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CHEBI:177728 - sufotidine

ChEBI IDCHEBI:177728
ChEBI Namesufotidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31N5O3S
Net Charge0
Average Mass421.567
Monoisotopic Mass421.21476
SMILESCn1nc(CS(C)(=O)=O)nc1NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C20H31N5O3S/c1-24-20(22-19(23-24)16-29(2,26)27)21-10-7-13-28-18-9-6-8-17(14-18)15-25-11-4-3-5-12-25/h6,8-9,14H,3-5,7,10-13,15-16H2,1-2H3,(H,21,22,23)
InChIKeyJEYKZWRXDALMNG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
sufotidine (CHEBI:177728) is a piperidines (CHEBI:26151)
IUPAC Name 
2-methyl-5-(methylsulonylmethyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazol-3-amine
Manual XrefsDatabases
D05939KEGG DRUG
64802ChemSpider
Registry NumbersSources
CAS:80343-63-1ChemIDplus