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CHEBI:34905 - paraquat

ChEBI IDCHEBI:34905
ChEBI Nameparaquat
Stars
DefinitionAn organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions.
Last Modified27 October 2021
DownloadsMolfile
FormulaC12H14N2
Net Charge+2
Average Mass186.258
Monoisotopic Mass186.11460
SMILESC[n+]1ccc(-c2cc[n+](C)cc2)cc1
InChIInChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
InChIKeyINFDPOAKFNIJBF-UHFFFAOYSA-N
Roles Classification
Applications:
herbicide  A substance used to destroy plant pests.
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
ChEBI Ontology
Outgoing Relation(s)
paraquat (CHEBI:34905) has parent hydride 4,4'-bipyridine (CHEBI:30985)
paraquat (CHEBI:34905) has role geroprotector (CHEBI:176497)
paraquat (CHEBI:34905) has role herbicide (CHEBI:24527)
paraquat (CHEBI:34905) is a organic cation (CHEBI:25697)
Incoming Relation(s)
paraquat dichloride (CHEBI:28786) has part paraquat (CHEBI:34905)
paraquat dichloride hydrate (CHEBI:233354) has part paraquat (CHEBI:34905)
IUPAC Name 
1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium
Synonyms  Source
ParaquatKEGG COMPOUND
1,1'-Dimethyl-4,4'-bipyridiniumKEGG COMPOUND
1,1'-dimethyl-4,4'-bipyridyldiyliumChemIDplus
dimethyl viologenChemIDplus
methyl viologen ion(2+)ChemIDplus
N,N'-dimethyl-4,4'-bipyridiniumChemIDplus
Manual XrefsDatabases
C14701KEGG COMPOUND
505PPDB
15147ChemSpider
paraquatAlan Wood's Pesticides
FDB011120FooDB
Registry NumbersSources
Gmelin:51125Gmelin
Reaxys:3590305Reaxys
CAS:4685-14-7KEGG COMPOUND
CAS:4685-14-7ChemIDplus
CAS:4685-14-7NIST Chemistry WebBook
Citations