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    Piperaquine Phosphate

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

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    REF. STANDARDS & IMPURITIES

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    $ API Ref.Price (USD/KG) : 68Xls

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    2D Structure
    Also known as: 85547-56-4, 5a17bat3gk, Piperaquine (phosphate), Piperaquine phosphate (1:1), 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloroquinoline) phosphate, 1215783-76-8
    Molecular Formula
    C29H35Cl2N6O4P
    Molecular Weight
    633.5  g/mol
    InChI Key
    KATNPMSTHHZOTK-UHFFFAOYSA-N
    FDA UNII
    5A17BAT3GK
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;phosphoric acid
    2.1.2 InChI
    InChI=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)
    2.1.3 InChI Key
    KATNPMSTHHZOTK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl.OP(=O)(O)O
    2.2 Other Identifiers
    2.2.1 UNII
    5A17BAT3GK
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,3-bis(1-(7-chloro-4'-quinolyl)-4'-piperazinyl)propane

    2. Piperaquine

    3. Piperaquine Phosphate (1:1)

    4. Piperaquine Phosphate (1:4) Anhydrous

    5. Piperaquine Tetraphosphate Anhydrous

    6. Piperaquine Tetraphosphate Tetrahydrate

    7. Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-)

    8. Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-, Phosphate (1:1)

    9. Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-, Phosphate (1:4)

    10. Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-, Phosphate, Hydrate (1:4:4)

    2.3.2 Depositor-Supplied Synonyms

    1. 85547-56-4

    2. 5a17bat3gk

    3. Piperaquine (phosphate)

    4. Piperaquine Phosphate (1:1)

    5. 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloroquinoline) Phosphate

    6. 1215783-76-8

    7. Unii-5a17bat3gk

    8. Chembl539666

    9. Schembl16101632

    10. Hy-b1896a

    11. Ex-a400

    12. Dtxsid601006108

    13. Bcp11808

    14. S5355

    15. Akos015896507

    16. Ccg-270293

    17. Sb19151

    18. As-10594

    19. Cs-0014403

    20. 951p979

    21. A841358

    22. 1,3-bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propane Phosphate

    23. 1,3-bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propane Xphosphate

    24. 1,3-bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propanephosphate

    25. 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloroquinoline)phosphate

    26. Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-, Phosphate

    27. Phosphoric Acid--4,4'-[propane-1,3-diyldi(piperazine-4,1-diyl)]bis(7-chloroquinoline) (1/1)

    28. Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-, Phosphate (1:1)

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 633.5 g/mol
    Molecular Formula C29H35Cl2N6O4P
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count6
    Exact Mass632.1834460 g/mol
    Monoisotopic Mass632.1834460 g/mol
    Topological Polar Surface Area117 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity704
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    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.)