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    Closantel Sodium

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

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    REF. STANDARDS & IMPURITIES

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    $ API Ref.Price (USD/KG) : 66Xls

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    2D Structure
    Also known as: 61438-64-0, Closantel (sodium), 0zbs9yc04p, 61438-64-0 (sodium), Sodium 2-((5-chloro-4-((4-chlorophenyl)(cyano)methyl)-2-methylphenyl)carbamoyl)-4,6-diiodophenolate, Unii-0zbs9yc04p
    Molecular Formula
    C22H13Cl2I2N2NaO2
    Molecular Weight
    685.1  g/mol
    InChI Key
    LREGMDNUOGTSIK-UHFFFAOYSA-M
    FDA UNII
    0ZBS9YC04P
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;2-[[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]carbamoyl]-4,6-diiodophenolate
    2.1.2 InChI
    InChI=1S/C22H14Cl2I2N2O2.Na/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29;/h2-9,17,29H,1H3,(H,28,30);/q;+1/p-1
    2.1.3 InChI Key
    LREGMDNUOGTSIK-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CC1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)I)I)[O-])Cl)C(C#N)C3=CC=C(C=C3)Cl.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    0ZBS9YC04P
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 61438-64-0

    2. Closantel (sodium)

    3. 0zbs9yc04p

    4. 61438-64-0 (sodium)

    5. Sodium 2-((5-chloro-4-((4-chlorophenyl)(cyano)methyl)-2-methylphenyl)carbamoyl)-4,6-diiodophenolate

    6. Unii-0zbs9yc04p

    7. Einecs 262-794-7

    8. Hms3652m14

    9. Hy-17596a

    10. Akos015894903

    11. Ccg-270373

    12. Cs-3976

    13. Ks-1256

    14. Sodium N-(5-chloro-4-((4-chlorophenyl)cyanomethyl)-o-tolyl)-2-hydroxy-3,5-diiodobenzamidate

    15. Sw219512-1

    16. C75881

    17. R-34828

    18. Q27251068

    19. 5'-chloro-4'-(4-chloro-.alpha.-cyanobenzyl)-3,5-di-iodosalicyl-o-toluidide

    20. Benzamide, N-(5-chloro-4-((4-chlorophenyl)cyanomethyl)-2-methylphenyl)-2-hydroxy-3,5-diiodo-, Monosodium Salt

    21. N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-3,5-diiodo-2-(sodiooxy)benzamide

    22. Sodium 2-(5-chloro-4-((4-chlorophenyl)(cyano)methyl)-2-methylphenylcarbamoyl)-4,6-diiodophenolate

    23. Sodium;2-[[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]carbamoyl]-4,6-diiodophenolate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 685.1 g/mol
    Molecular Formula C22H13Cl2I2N2NaO2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass683.83412 g/mol
    Monoisotopic Mass683.83412 g/mol
    Topological Polar Surface Area76 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity659
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2