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CHEBI:138170 - sulfanegen

ChEBI IDCHEBI:138170
ChEBI Namesulfanegen
Stars
DefinitionA member of the class of dithianes that is 1,4-dithiane-2,5-dicarboxylic acid in which the hydrogens at positions 2 and 5 have been replaced by hydroxy groups. Sulfanegen is a prodrug for 3-mercaptopyruvic acid and is an experimental antidote for cyanide poisoning.
Last Modified11 September 2017
SubmitterBijay
DownloadsMolfile
FormulaC6H8O6S2
Net Charge0
Average Mass240.258
Monoisotopic Mass239.97623
SMILESO=C(O)C1(O)CSC(O)(C(=O)O)CS1
InChIInChI=1S/C6H8O6S2/c7-3(8)5(11)1-13-6(12,2-14-5)4(9)10/h11-12H,1-2H2,(H,7,8)(H,9,10)
InChIKeyGYZMXMSJOZUNEQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Applications:
antidote to cyanide poisoning  A role borne by a molecule that acts to counteract or neutralize the deleterious effects of cyanide.
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
ChEBI Ontology
Outgoing Relation(s)
sulfanegen (CHEBI:138170) has role antidote to cyanide poisoning (CHEBI:90749)
sulfanegen (CHEBI:138170) has role prodrug (CHEBI:50266)
sulfanegen (CHEBI:138170) is a dicarboxylic acid (CHEBI:35692)
sulfanegen (CHEBI:138170) is a dithianes (CHEBI:51652)
sulfanegen (CHEBI:138170) is a monothiohemiketal (CHEBI:59801)
IUPAC Name 
2,5-dihydroxy-1,4-dithiane-2,5-dicarboxylic acid
Manual XrefsDatabases
24830990PubChem Compound
WO2011133893Patent
US2016354341Patent
Registry NumbersSources
Reaxys:21914042Reaxys
CAS:80003-64-1ChemIDplus
Citations