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CHEBI:80620 - Albendazole sulfone

Default Structure
ChEBI IDCHEBI:80620
ChEBI NameAlbendazole sulfone
Stars
DownloadsMolfile
FormulaC12H15N3O4S
Net Charge0
Average Mass297.336
Monoisotopic Mass297.07833
SMILESCCCS(=O)(=O)c1ccc2nc(NC(=O)OC)nc2c1
InChIInChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyCLSJYOLYMZNKJB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Albendazole sulfone (CHEBI:80620) is a organic sulfide (CHEBI:16385)
Manual XrefsDatabases
C16626KEGG COMPOUND
HMDB0060561HMDB
Registry NumbersSources
CAS:75184-71-3KEGG COMPOUND