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    Chemistry

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    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
    Niclosamide Piperazine
    1 2D Structure

    Niclosamide Piperazine

    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

    API Reference Price

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    30-Oct-2024
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