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CHEBI:749058 - piperaquine phosphate

Default Structure
ChEBI IDCHEBI:749058
ChEBI Namepiperaquine phosphate
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaH3O4P.C29H32Cl2N6
Net Charge0
Average Mass633.517
Monoisotopic Mass632.18345
SMILESClc1ccc2c(N3CCN(CCCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1.O=P(O)(O)O
InChIInChI=1S/C29H32Cl2N6.H3O4P/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;1-5(2,3)4/h2-9,20-21H,1,10-19H2;(H3,1,2,3,4)
InChIKeyKATNPMSTHHZOTK-UHFFFAOYSA-N
Roles Classification
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 phosphate (CHEBI:749058) has role antimalarial (CHEBI:38068)
piperaquine phosphate (CHEBI:749058) is a piperazines (CHEBI:26144)
piperaquine phosphate (CHEBI:749058) is a pyridines (CHEBI:26421)
Brand Name  Source
Piperaquine phosphate component of eurartesim piperaquine tetraphosphateChEMBL
Citations