Piperaquine tetraphosphateProduct ingredient for Piperaquine
- Name
- Piperaquine tetraphosphate
- Drug Entry
- Piperaquine
Piperaquine is an antimalarial agent first synthesized in the 1960's and used throughout China 1. Its use declined in the 1980's as piperaquine resistant strains of Plasmodium falciparum appeared and artemisinin derivatives became available. It has come back into use in combination with the artemisinin derivative Artenimol as part of the combination product Eurartesim Label. Eurartesim was first authorized for market by the European Medicines Agency in October 2011.
- Accession Number
- DBSALT002601
- Structure
Structure for Piperaquine tetraphosphate (DBSALT002601)
- Synonyms
- Piperaquine tetraphosphate anhydrous
- UNII
- IHB5WLO51Q
- CAS Number
- 911061-10-4
- Weight
- Average: 927.49
Monoisotopic: 926.1141328 - Chemical Formula
- C29H44Cl2N6O16P4
- InChI Key
- OAKKJVUSSVZQRF-UHFFFAOYSA-N
- InChI
- InChI=1S/C29H32Cl2N6.4H3O4P/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;4*1-5(2,3)4/h2-9,20-21H,1,10-19H2;4*(H3,1,2,3,4)
- IUPAC Name
- 7-chloro-4-(4-{3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl}piperazin-1-yl)quinoline; tetrakis(phosphoric acid)
- SMILES
- OP(O)(O)=O.OP(O)(O)=O.OP(O)(O)=O.OP(O)(O)=O.ClC1=CC2=C(C=C1)C(=CC=N2)N1CCN(CCCN2CCN(CC2)C2=CC=NC3=CC(Cl)=CC=C23)CC1
- External Links
- ChemSpider
- 26390640
- ChEMBL
- CHEMBL1652442
- Predicted Properties
Property Value Source Water Solubility 0.0167 mg/mL ALOGPS logP 5.53 ALOGPS logP 5.27 Chemaxon logS -4.5 ALOGPS pKa (Strongest Basic) 8.47 Chemaxon Physiological Charge 3 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 38.74 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 153.42 m3·mol-1 Chemaxon Polarizability 60.24 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon