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CHEBI:233414 - Disufenton sodium

Default Structure
ChEBI IDCHEBI:233414
ChEBI NameDisufenton sodium
Stars
DefinitionDisufenton Sodium is a disulfonyl derivative of phenyl-tert-butyl nitrone (PBN), with potential anti-glioma activity.
Submitterlbonaobra
DownloadsMolfile
FormulaC11H13NO7S2.2Na
Net Charge0
Average Mass381.339
Monoisotopic Mass380.99288
SMILESCC(C)(C)/[N+]([O-])=C/c1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C11H15NO7S2.2Na/c1-11(2,3)12(13)7-8-4-5-9(20(14,15)16)6-10(8)21(17,18)19;;/h4-7H,1-3H3,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2/b12-7-;;
InChIKeyXLZOVRYBVCMCGL-BPNVQINPSA-L
ChEBI Ontology
Outgoing Relation(s)
Disufenton sodium (CHEBI:233414) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
168021-79-2SUBMITTER
disodium;4-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonateSUBMITTER
OKN-007SUBMITTER
Registry NumbersSources
CAS:168021-79-2SUBMITTER