Piperaquine tetraphosphate
PubChem CID
53318025
Structure
Molecular Formula
Synonyms
- Piperaquine tetraphosphate
- 911061-10-4
- Piperaquine phosphate
- UNII-IHB5WLO51Q
- IHB5WLO51Q
Molecular Weight
927.5 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2011-08-19
- Modify:2025-01-11
Description
PIPERAQUINE TETRAPHOSPHATE is a small molecule drug with a maximum clinical trial phase of I and has 1 investigational indication.
Chemical Structure Depiction
3D Conformer of Parent
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;phosphoric acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
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)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
OAKKJVUSSVZQRF-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C29H44Cl2N6O16P4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
911061-10-4
- 1,3-bis(1-(7-chloro-4'-quinolyl)-4'-piperazinyl)propane
- piperaquine
- piperaquine phosphate
- piperaquine phosphate (1:1)
- piperaquine phosphate (1:4) anhydrous
- piperaquine tetraphosphate anhydrous
- piperaquine tetraphosphate tetrahydrate
- quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-)
- quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-, phosphate (1:1)
- quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-, phosphate (1:4)
- quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-, phosphate, hydrate (1:4:4)
- Piperaquine tetraphosphate
- 911061-10-4
- Piperaquine phosphate
- UNII-IHB5WLO51Q
- IHB5WLO51Q
- 7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;phosphoric acid
- Piperaquine (tetraphosphate)
- Piperaquine (phosphate)
- 4,4'-(1,3-Propanediyldi-4,1-piperazinediyl)bis[7-chloroquinoline] Tetraphosphate
- 1,3-bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propane tetrakis(phosphate)
- QUINOLINE, 4,4'-(1,3-PROPANEDIYLDI-4,1-PIPERAZINEDIYL)BIS(7-CHLORO-, PHOSPHATE (1:4)
- CHEMBL1652442
- DTXSID90919955
- HY-118865
- CS-0069863
- P1987
- PIPERAQUINE PHOSPHATE (1:4) ANHYDROUS
- Q27280729
- Phosphoric acid--4,4'-[propane-1,3-diyldi(piperazine-4,1-diyl)]bis(7-chloroquinoline) (4/1)
- QUINOLINE, 4,4'-(1,3-PROPANEDIYLDI-4,1-PIPERAZINEDIYL)BIS(7-CHLORO-, PHOSPHATE (1:4))
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
927.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
12
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
22
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
926.1141327 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
926.1141327 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
350 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
57
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
704
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
5
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Antimalarials
Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585) (See all compounds classified as Antimalarials.)
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- ChemIDplusPiperaquine tetraphosphatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0911061104ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxPhosphoric acid--4,4'-[propane-1,3-diyldi(piperazine-4,1-diyl)]bis(7-chloroquinoline) (4/1)https://comptox.epa.gov/dashboard/DTXSID90919955CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingPIPERAQUINE PHOSPHATE (1:4) ANHYDROUShttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/IHB5WLO51Q
- ClinicalTrials.govLICENSEThe ClinicalTrials.gov data carry an international copyright outside the United States and its Territories or Possessions. Some ClinicalTrials.gov data may be subject to the copyright of third parties; you should consult these entities for any additional terms of use.https://clinicaltrials.gov/ct2/about-site/terms-conditions#Use
- EU Clinical Trials Register
- Open TargetsLICENSEDatasets generated by the Open Targets Platform are freely available for download.https://platform-docs.opentargets.org/licencePIPERAQUINE TETRAPHOSPHATEhttps://platform.opentargets.org/drug/CHEMBL1652442
- Wikidatapiperaquine phosphatehttps://www.wikidata.org/wiki/Q27280729
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlpiperaquinehttps://www.ncbi.nlm.nih.gov/mesh/67034759Antimalarialshttps://www.ncbi.nlm.nih.gov/mesh/68000962
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- NCBI
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