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CHEBI:8687 - pyrvinium

ChEBI IDCHEBI:8687
ChEBI Namepyrvinium
Stars
DefinitionA quinolinium ion that is 1-methylquinolinium substituted by dimethylamino group at position 6 and a (E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl at position 2. It is a anthelminthic drug active against pinworms. The salts of pyrvinium can also be used as anticancer agents.
Last Modified22 February 2017
DownloadsMolfile
FormulaC26H28N3
Net Charge+1
Average Mass382.531
Monoisotopic Mass382.22777
SMILESCc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1
InChIInChI=1S/C26H28N3/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5/h6-18H,1-5H3/q+1
InChIKeyQMHSXPLYMTVAMK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
anthelminthic drug  Substance intended to kill parasitic worms (helminths).
ChEBI Ontology
Outgoing Relation(s)
pyrvinium (CHEBI:8687) has role anthelminthic drug (CHEBI:35443)
pyrvinium (CHEBI:8687) has role antineoplastic agent (CHEBI:35610)
pyrvinium (CHEBI:8687) is a quinolinium ion (CHEBI:52837)
IUPAC Name 
6-(dimethylamino)-2-[(E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-1-methylquinolinium
Manual XrefsDatabases
C07412KEGG COMPOUND
PyrviniumWikipedia
GB834990Patent
2335DrugCentral
Registry NumbersSources
Reaxys:4159167Reaxys
CAS:7187-62-4KEGG COMPOUND
CAS:7187-62-4ChemIDplus
Citations