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    Melarsomine dihydrochloride

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    $ API Ref.Price (USD/KG) : 20,678Xls

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    2D Structure
    Also known as: Cymelarsan, Immiticide, Cymelarsen, 89141-50-4, Melarsomine (dihydrochloride), 9cva716q71
    Molecular Formula
    C13H23AsCl2N8S2
    Molecular Weight
    501.3  g/mol
    InChI Key
    WMZUMAJTJUZEKQ-UHFFFAOYSA-N
    FDA UNII
    9CVA716Q71
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-N-[4-[bis(2-aminoethylsulfanyl)arsanyl]phenyl]-1,3,5-triazine-2,4,6-triamine;dihydrochloride
    2.1.2 InChI
    InChI=1S/C13H21AsN8S2.2ClH/c15-5-7-23-14(24-8-6-16)9-1-3-10(4-2-9)19-13-21-11(17)20-12(18)22-13;;/h1-4H,5-8,15-16H2,(H5,17,18,19,20,21,22);2*1H
    2.1.3 InChI Key
    WMZUMAJTJUZEKQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1NC2=NC(=NC(=N2)N)N)[As](SCCN)SCCN.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    9CVA716Q71
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Immiticide

    2. Melarsomine

    3. Rm 340

    4. Rm-340

    2.3.2 Depositor-Supplied Synonyms

    1. Cymelarsan

    2. Immiticide

    3. Cymelarsen

    4. 89141-50-4

    5. Melarsomine (dihydrochloride)

    6. 9cva716q71

    7. 2-n-[4-[bis(2-aminoethylsulfanyl)arsanyl]phenyl]-1,3,5-triazine-2,4,6-triamine;dihydrochloride

    8. Melcy

    9. Bis(2-aminoethyl) P-((4,6-diamino-s-triazin-2-yl)amino)dithiobenzenearsonite Dihydrochloride

    10. Mel Cy

    11. Arsonodithious Acid, As-(4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-, Bis(2-aminoethyl) Ester, Hydrochloride (1:2)

    12. N2-(4-(bis(2-aminoethylsulfanyl)arsanyl)phenyl)-1,3,5-triazine-2,4,6-triamine Dihydrochloride

    13. Melaminylthioarsenite

    14. Rm 110

    15. Rm-110

    16. Melarsenoxide Cysteamine

    17. Schembl526148

    18. Unii-9cva716q71

    19. Chembl3215666

    20. Dtxsid90237545

    21. Rm110

    22. Hy-138502a

    23. Melarsomine Dihydrochloride [mi]

    24. Arsonodithious Acid, (4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-, Bis(2-aminoethyl) Ester, Dihydrochloride

    25. Cs-0148514

    26. Melarsomine Dihydrochloride [green Book]

    27. Q27272369

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 501.3 g/mol
    Molecular Formula C13H23AsCl2N8S2
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count9
    Exact Mass500.008010 g/mol
    Monoisotopic Mass500.008010 g/mol
    Topological Polar Surface Area205 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity330
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3