CHEBI:133553 - thiocyclam oxalate

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ChEBI Name thiocyclam oxalate
ChEBI ID CHEBI:133553
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H13NO4S3
Net Charge 0
Average Mass 271.381
Monoisotopic Mass 271.00067
InChI InChI=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)
InChIKey ICTQUFQQEYSGGJ-UHFFFAOYSA-N
SMILES S1SSCC(C1)N(C)C.C(C(=O)O)(=O)O
Roles Classification
Biological Role(s): nicotinic acetylcholine receptor agonist
An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.
Application(s): 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.
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
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ChEBI Ontology
Outgoing 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 Sources
5-dimethylamino-1,2,3-trithiane hydrogen oxalate ChemIDplus
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 hydrogenoxalate ChemIDplus
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 oxalate ChemIDplus
oxalic acid—N,N-dimethyl-1,2,3-trithian-5-amine (1/1) Alan Wood's Pesticides
thiocyclam hydrogen oxalate ChemIDplus
Brand Names Sources
Evisect ChemIDplus
Evisekt ChemIDplus
Manual Xrefs Databases
753 PPDB
derivatives/thiocyclam%20oxalate Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
31895-22-4 CAS Registry Number ChemIDplus
31895-22-4 CAS Registry Number Alan Wood's Pesticides
Last Modified
01 October 2016