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Albendazole sulfone

PropertiesImage
MNX_IDMNXM1103407 Image of MNXM1103407
referencechebi:80620
formulaC12H15N3O4S
global charge0
mol weight297.336
InChIKeyCLSJYOLYMZNKJB-UHFFFAOYSA-N
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)
SMILESCCCS(=O)(=O)C1=CC=C2NC(NC(=O)OC)=NC2=C1
MNX internals
InChI (mnx)InChI=1/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) Image of MNXM1103407
SMILES (mnx)[CH3:1][CH2:3][CH2:6][S:20]([C:8]1=[CH:7][C:10]2=[C:9]([CH:5]=[CH:4]1)[N:13]=[C:11]([N:15]=[C:12]([OH:16])[O:19][CH3:2])[NH:14]2)(=[O:17])=[O:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd16430
seedM:cpd16430
CHEBI:80620
chebi:80620
kegg.compound:C16626
keggC:C16626
CLSJYOLYMZNKJB-UHFFFAOYSA-N
Albendazole sulfone
hmdb:HMDB0060561
CLSJYOLYMZNKJB-UHFFFAOYSA-N
Albendazole sulfone
Albendazole sulphone
N-[6-(Propane-1-sulfonyl)-1H-1,3-benzodiazol-2-yl]methoxycarboximidate
N-[6-(Propane-1-sulphonyl)-1H-1,3-benzodiazol-2-yl]methoxycarboximidate
N-[6-(Propane-1-sulphonyl)-1H-1,3-benzodiazol-2-yl]methoxycarboximidic acid
N-[6-(propane-1-sulfonyl)-1H-1,3-benzodiazol-2-yl]methoxycarboximidic acid
albendazole sulfone

hmdb:HMDB60561
keggC:M_C16626
seedM:M_cpd16430
secondary/obsolete/fantasy identifier