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CHEBI:91231 - piperaquine

ChEBI IDCHEBI:91231
ChEBI Namepiperaquine
Stars
DefinitionAn aminoquinoline that is 1,3-di(piperazin-1-yl)propane in which the nitrogen at position 4 of each of the piperazine moieties is replaced by a 7-chloroquinolin-4-yl group.
Last Modified22 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC29H32Cl2N6
Net Charge0
Average Mass535.523
Monoisotopic Mass534.20655
SMILESClc1ccc2c(N3CCN(CCCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1
InChIInChI=1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2
InChIKeyUCRHFBCYFMIWHC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
Application:
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
ChEBI Ontology
Outgoing Relation(s)
piperaquine (CHEBI:91231) has role antimalarial (CHEBI:38068)
piperaquine (CHEBI:91231) is a N-arylpiperazine (CHEBI:46848)
piperaquine (CHEBI:91231) is a aminoquinoline (CHEBI:36709)
piperaquine (CHEBI:91231) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
7-chloro-4-(4-{3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl}piperazin-1-yl)quinoline
Synonyms  Source
piperaquinolineChemIDplus
1,3-bis[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propaneChEBI
Manual XrefsDatabases
PiperaquineWikipedia
4193DrugCentral
Registry NumbersSources
Reaxys:905079Reaxys
CAS:4085-31-8ChemIDplus
Citations