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CHEBI:100461 - 5-chlorospiro[indole-3,2'-[1,3]oxathiolan]-2(1H)-one

ChEBI IDCHEBI:100461
ChEBI Name5-chlorospiro[indole-3,2'-[1,3]oxathiolan]-2(1H)-one
Stars
ASCII Name5-chlorospiro[indole-3,2'-[1,3]oxathiolan]-2(1H)-one
DefinitionA monothioketal formed from 5-chloro-1H-indole-2,3-dione. It has been studied for its anticonvulsant properties.
Last Modified11 June 2014
DownloadsMolfile
FormulaC10H8ClNO2S
Net Charge0
Average Mass241.699
Monoisotopic Mass240.99643
SMILESO=C1Nc2ccc(Cl)cc2C12OCCS2
InChIInChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)10(9(13)12-8)14-3-4-15-10/h1-2,5H,3-4H2,(H,12,13)
InChIKeyWLGQOYSRXRIQBG-UHFFFAOYSA-N
Roles Classification
Application:
anticonvulsant  A drug used to prevent seizures or reduce their severity.
ChEBI Ontology
Outgoing Relation(s)
5-chlorospiro[indole-3,2'-[1,3]oxathiolan]-2(1H)-one (CHEBI:100461) has role anticonvulsant (CHEBI:35623)
5-chlorospiro[indole-3,2'-[1,3]oxathiolan]-2(1H)-one (CHEBI:100461) is a monothioketal (CHEBI:59799)
5-chlorospiro[indole-3,2'-[1,3]oxathiolan]-2(1H)-one (CHEBI:100461) is a oxathiolane (CHEBI:78801)
IUPAC Name 
5-chlorospiro[indole-3,2'-[1,3]oxathiolan]-2(1H)-one
Synonym  Source
5-chlorospiro[2,3-dihydro-1H-indole-3,2'-(dihydro[1,3]oxathiolane)]-2-oneChEMBL
Registry NumbersSources
Beilstein:7094661Beilstein
Citations