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    Prosultiamine

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 59-58-5, Thiamine propyl disulfide, N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-[(z)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide, Jubedel, Taketron, Thiobeta
    Molecular Formula
    C15H24N4O2S2
    Molecular Weight
    356.5  g/mol
    InChI Key
    UDCIYVVYDCXLSX-KAMYIIQDSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide
    2.1.2 InChI
    InChI=1S/C15H24N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18)/b14-11-
    2.1.3 InChI Key
    UDCIYVVYDCXLSX-KAMYIIQDSA-N
    2.1.4 Canonical SMILES
    CCCSSC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)CCO
    2.1.5 Isomeric SMILES
    CCCSS/C(=C(/C)\N(CC1=CN=C(N=C1N)C)C=O)/CCO
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Alinamin

    2. Prosultiamine Hydrochloride

    3. Thiamine Propyl Disulfide

    4. Thiamine Propyldisulfide

    5. Thiamine Propyldisulphide

    6. Thiaminepropyldisulfide

    2.2.2 Depositor-Supplied Synonyms

    1. 59-58-5

    2. Thiamine Propyl Disulfide

    3. N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-[(z)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide

    4. Jubedel

    5. Taketron

    6. Thiobeta

    7. Binova

    8. Thiamine Propyldisulfide

    9. Thiamine Propyl Disulphide

    10. Prosultiamin

    11. Ncgc00167447-01

    12. Alinamin (tn)

    13. Prosultiamine (jan/inn)

    14. Chembl1442890

    15. Schembl19533173

    16. Zinc1608677

    17. Mfcd00023265

    18. Akos037643219

    19. As-11046

    20. D03286

    21. 023p265

    22. [[(2-methyl-4-aminopyrimidine-5-yl)methyl][(z)-1-methyl-2-(propyldithio)-4-hydroxy-1-butenyl]amino]formaldehyde

    23. N-[(4-amino-2-methyl-5-pyrimidyl)-methyl]-n-[4-hydroxy-1-methyl-2-(propyldithio)-1-butenyl]formamide

    2.3 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 356.5 g/mol
    Molecular Formula C15H24N4O2S2
    XLogP31.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count9
    Exact Mass356.13406837 g/mol
    Monoisotopic Mass356.13406837 g/mol
    Topological Polar Surface Area143 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity396
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1