EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:233354 - paraquat dichloride hydrate

ChEBI IDCHEBI:233354
ChEBI Nameparaquat dichloride hydrate
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC12H14N2.2Cl.H2O
Net Charge0
Average Mass275.179
Monoisotopic Mass274.06397
SMILESC[n+]1ccc(-c2cc[n+](C)cc2)cc1.O.[Cl-].[Cl-]
InChIInChI=1S/C12H14N2.2ClH.H2O/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;;/h3-10H,1-2H3;2*1H;1H2/q+2;;;/p-2
InChIKeyRLGVBTFWTZJYIL-UHFFFAOYSA-L
Roles Classification
Biological Roles:
neurotoxin  A poison that interferes with the functions of the nervous system.
Applications:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
paraquat dichloride hydrate (CHEBI:233354) has part paraquat (CHEBI:34905)
paraquat dichloride hydrate (CHEBI:233354) has role herbicide (CHEBI:24527)
paraquat dichloride hydrate (CHEBI:233354) has role neurotoxin (CHEBI:50910)
paraquat dichloride hydrate (CHEBI:233354) has role photosystem-I inhibitor (CHEBI:26088)
paraquat dichloride hydrate (CHEBI:233354) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
InChI=1S/C12H14N2.2ClH.H2O/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;;/h3-10H,1-2H3;2*1H;1H2/q+2;;;/p-2
Registry NumbersSources
CAS:1083299-87-9SUBMITTER
Citations