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CHEBI:133553 - thiocyclam oxalate

ChEBI IDCHEBI:133553
ChEBI Namethiocyclam oxalate
Stars
DefinitionAn oxalate salt resulting from the formal reaction of equimolar amounts of thiocyclam and oxalic acid. A nicotinic acetylcholine receptor agonist, it was used as a broad-spectrum insecticide. It is not approved for use within the European Union.
Last Modified1 October 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC2H2O4.C5H11NS3
Net Charge0
Average Mass271.385
Monoisotopic Mass271.00067
SMILESCN(C)C1CSSSC1.O=C(O)C(=O)O
InChIInChI=1S/C5H11NS3.C2H2O4/c1-6(2)5-3-7-9-8-4-5;3-1(4)2(5)6/h5H,3-4H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyICTQUFQQEYSGGJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
nicotinic acetylcholine receptor agonist  An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
nicotinic acetylcholine receptor agonist  An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
ChEBI Ontology
Outgoing Relation(s)
thiocyclam oxalate (CHEBI:133553) has part oxalate(1−) (CHEBI:46904)
thiocyclam oxalate (CHEBI:133553) has part thiocyclam(1+) (CHEBI:133552)
thiocyclam oxalate (CHEBI:133553) has role agrochemical (CHEBI:33286)
thiocyclam oxalate (CHEBI:133553) has role insecticide (CHEBI:24852)
thiocyclam oxalate (CHEBI:133553) has role nicotinic acetylcholine receptor agonist (CHEBI:47958)
thiocyclam oxalate (CHEBI:133553) is a oxalate salt (CHEBI:64148)
IUPAC Name 
N,N-dimethyl-1,2,3-trithian-5-aminium hydrogen oxalate
Synonyms  Source
5-dimethylamino-1,2,3-trithiane hydrogen oxalateChemIDplus
thiocyclam hydrogen oxalateChemIDplus
N,N-dimethyl-1,2,3-trithian-5-amine hydrogenoxalateChemIDplus
N,N-dimethyl-1,2,3-trithian-5-ylammonium hydrogen oxalateChemIDplus
N,N-dimethyl-1,2,3-trithian-5-ylamine oxalate (1:1)Alan Wood's Pesticides
oxalic acid—N,N-dimethyl-1,2,3-trithian-5-amine (1/1)Alan Wood's Pesticides
Brand Names  Source
EvisektChemIDplus
EvisectChemIDplus
Manual XrefsDatabases
derivatives/thiocyclam%20oxalateAlan Wood's Pesticides
753PPDB
Registry NumbersSources
CAS:31895-22-4Alan Wood's Pesticides
CAS:31895-22-4ChemIDplus