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CHEBI:38950 - (S)-albendazole S-oxide

ChEBI IDCHEBI:38950
ChEBI Name(S)-albendazole S-oxide
Stars
ASCII Name(S)-albendazole S-oxide
Last Modified21 November 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H15N3O3S
Net Charge0
Average Mass281.337
Monoisotopic Mass281.08341
SMILESCCC[S@](=O)c1ccc2nc(NC(=O)OC)nc2c1
InChIInChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/t19-/m0/s1
InChIKeyVXTGHWHFYNYFFV-IBGZPJMESA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-albendazole S-oxide (CHEBI:38950) is a albendazole S-oxide (CHEBI:16959)
(S)-albendazole S-oxide (CHEBI:38950) is enantiomer of (R)-albendazole S-oxide (CHEBI:40763)
Incoming Relation(s)
(R)-albendazole S-oxide (CHEBI:40763) is enantiomer of (S)-albendazole S-oxide (CHEBI:38950)
IUPAC Name 
methyl {5-[(S)-propylsulfinyl]-1H-benzimidazol-2-yl}carbamate
Synonym  Source
methyl {5-[(S)-propane-1-sulfinyl]-1H-benzimidazol-2-yl}carbamateIUPAC
Manual XrefsDatabases
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