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CHEBI:133553 - thiocyclam oxalate

Default Structure
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.
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.
nicotinic acetylcholine receptor agonist  An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.
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
N,N-dimethyl-1,2,3-trithian-5-amine ethanedioate (1:1)Alan Wood's Pesticides
N,N-dimethyl-1,2,3-trithian-5-amine hydrogenoxalateChemIDplus
N,N-dimethyl-1,2,3-trithian-5-ylamine oxalate (1:1)Alan Wood's Pesticides
N,N-dimethyl-1,2,3-trithian-5-ylammonium hydrogen oxalateChemIDplus
oxalic acid—N,N-dimethyl-1,2,3-trithian-5-amine (1/1)Alan Wood's Pesticides
Brand Names  Source
EvisectChemIDplus
EvisektChemIDplus
Manual XrefsDatabases
753PPDB
derivatives/thiocyclam%20oxalateAlan Wood's Pesticides
Registry NumbersSources
CAS:31895-22-4Alan Wood's Pesticides
CAS:31895-22-4ChemIDplus