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    Niclosamide Piperazine

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 15Xls

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    2D Structure
    Also known as: 34892-17-6, Taenifugin, Fenasal piperazine, Phenasal piperazine, Niclosamid-piperazin, Niclosamide piperazine salt
    Molecular Formula
    C17H18Cl2N4O4
    Molecular Weight
    413.3  g/mol
    InChI Key
    IAIUNINVFIUGNZ-UHFFFAOYSA-N
    FDA UNII
    813L87CE24
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide;piperazine
    2.1.2 InChI
    InChI=1S/C13H8Cl2N2O4.C4H10N2/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;1-2-6-4-3-5-1/h1-6,18H,(H,16,19);5-6H,1-4H2
    2.1.3 InChI Key
    IAIUNINVFIUGNZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCN1.C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O
    2.2 Other Identifiers
    2.2.1 UNII
    813L87CE24
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 34892-17-6

    2. Taenifugin

    3. Fenasal Piperazine

    4. Phenasal Piperazine

    5. Niclosamid-piperazin

    6. Niclosamide Piperazine Salt

    7. Niclosamide-piperazine

    8. Fenasal Piperazine Salt

    9. Einecs 252-274-8

    10. 813l87ce24

    11. 5-chloro-n-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide;piperazine

    12. Benzamide, 5-chloro-n-(2-chloro-4-nitrophenyl)-2-hydroxy-, Compd. With Piperazine (1:1)

    13. Piperazine, Compd. With 5-chloro-n-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide (1:1)

    14. Niclosamid-piperazin [who-dd]

    15. Unii-813l87ce24

    16. 5-chloro-n-(2-chloro-4-nitrophenyl)salicylamide, Compound With Piperazine

    17. Dtxsid40956370

    18. 5-chloro-n-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide Compound With Piperazine (1:1)

    19. 36466-48-5

    20. Ft-0701251

    21. 892n176

    22. Q27269192

    23. 5-chloro-n-(2-chloro-4-nitrophenyl)-2-hydroxybenzene-1-carboximidic Acid--piperazine (1/1)

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 413.3 g/mol
    Molecular Formula C17H18Cl2N4O4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass412.0705105 g/mol
    Monoisotopic Mass412.0705105 g/mol
    Topological Polar Surface Area119 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity431
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2