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    Melarsoprol

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    2D Structure
    Also known as: 494-79-1, Mel b, Arsobal, Melarsoprolum [inn-latin], Rp 3854, Einecs 207-793-4
    Molecular Formula
    C12H15AsN6OS2
    Molecular Weight
    398.3  g/mol
    InChI Key
    JCYZMTMYPZHVBF-UHFFFAOYSA-N
    FDA UNII
    ZF3786Q2E8
    Arsenical used in trypanosomiases. It may cause fatal encephalopathy and other undesirable side effects.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol
    2.1.2 InChI
    InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)
    2.1.3 InChI Key
    JCYZMTMYPZHVBF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C(S[As](S1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)N)N)CO
    2.2 Other Identifiers
    2.2.1 UNII
    ZF3786Q2E8
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Arsobal

    2. Mel B

    3. Melarsenoxid Bal

    4. Melarsenoxid-bal

    5. Melarsenoxidbal

    2.3.2 Depositor-Supplied Synonyms

    1. 494-79-1

    2. Mel B

    3. Arsobal

    4. Melarsoprolum [inn-latin]

    5. Rp 3854

    6. Einecs 207-793-4

    7. Rp-3854

    8. [2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol

    9. Chebi:6729

    10. Zf3786q2e8

    11. Melarsoprol (inn)

    12. Melarsoprol [inn]

    13. 2-(p-(4,6-diamino-s-triazin-2-ylamino)phenyl)-1,3,2-dithiarsolane-4-methanol

    14. Melarsoprolum

    15. (2-(4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-1,3,2-dithiarsolan-4-yl)methanol

    16. (2-{4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl}-1,3,2-dithiarsolan-4-yl)methanol

    17. Melarsoprol [inn:ban:dcf]

    18. Specia

    19. Unii-zf3786q2e8

    20. Melarsoprol [mi]

    21. Mel B (tn)

    22. Chembl166

    23. 1,3,2-dithiarsolane-4-methanol, 2-(4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-

    24. Melarsoprol [mart.]

    25. Schembl61707

    26. Melarsoprol [who-dd]

    27. Dtxsid90862033

    28. Db12864

    29. C08001

    30. D00832

    31. Q419753

    32. 2-[4-{(4,6-diamino-1,3,5-triazin-2-yl)amino}phenyl]-1,3,2-dithiarsolan-e-4-methanol

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 398.3 g/mol
    Molecular Formula C12H15AsN6OS2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count4
    Exact Mass397.996471 g/mol
    Monoisotopic Mass397.996471 g/mol
    Topological Polar Surface Area174 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity353
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Trypanocidal Agents

    Agents destructive to the protozoal organisms belonging to the suborder TRYPANOSOMATINA. (See all compounds classified as Trypanocidal Agents.)

    4.2 ATC Code

    P - Antiparasitic products, insecticides and repellents

    P01 - Antiprotozoals

    P01C - Agents against leishmaniasis and trypanosomiasis

    P01CD - Arsenic compounds

    P01CD01 - Melarsoprol