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    Technical details about Dianhydrogalactitol, learn more about the structure, uses, toxicity, action, side effects and more

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    Dianhydrogalactitol

    DEVELOPMENTS

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 1,2:5,6-diepoxydulcitol, Dianhydromannitol, 23261-20-3, 1,2-bis(oxiran-2-yl)ethane-1,2-diol, Nsc 132313, 5,6-diepoxydulcitol
    Molecular Formula
    C6H10O4
    Molecular Weight
    146.14  g/mol
    InChI Key
    AAFJXZWCNVJTMK-UHFFFAOYSA-N
    One of the cytotoxic dihalohexitols that alkylates and cross-links DNA via an epoxide group during all phases of the cell cycle, resulting in a disruption of DNA function and cell cycle arrest. It has antineoplastic activity and also causes bone marrow toxicity.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,2-bis(oxiran-2-yl)ethane-1,2-diol
    2.1.2 InChI
    InChI=1S/C6H10O4/c7-5(3-1-9-3)6(8)4-2-10-4/h3-8H,1-2H2
    2.1.3 InChI Key
    AAFJXZWCNVJTMK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C(O1)C(C(C2CO2)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1,2,5,6-dianhydrogalactitol

    2. 1,2-5,6-dianhydrogalactitol

    3. Dianhydrogalactitol

    4. Diepoxydulcitol

    5. Diepoxygalactitol

    6. Nsc 132313

    7. Nsc-132313

    8. Nsc132313

    2.2.2 Depositor-Supplied Synonyms

    1. 1,2:5,6-diepoxydulcitol

    2. Dianhydromannitol

    3. 23261-20-3

    4. 1,2-bis(oxiran-2-yl)ethane-1,2-diol

    5. Nsc 132313

    6. 5,6-diepoxydulcitol

    7. 1,2-5,6-dianhydro-dulcitol

    8. 1,2:5,6-dianhydrodulcitol

    9. Galactitol, 1,2:5,6-dianhydro-

    10. Dianhydrodulcitol;dianhydrogalactitol

    11. Nsc132313

    12. 19895-66-0

    13. Nsc-133129

    14. 1,6-diepoxydulcitol

    15. 1,6-dianhydrodulcitol

    16. 1,6-dianhydromannitol

    17. 1,6-dianhydrogalactitol

    18. 1,6-diepoxy-d-mannitol

    19. 1,6-dianhydro-d-mannitol

    20. 1,2:5,6-dianhydrohexitol

    21. 1,6-di-anhydro-d-mannitol

    22. Galactitol,2:5,6-dianhydro-

    23. Schembl8375579

    24. D-mannitol,2:5,6-dianhydro-

    25. Chembl1987719

    26. Dtxsid60941768

    27. Mannitol,2:5,6-dianhydro-, D-

    28. Nsc133129

    29. Akos025396866

    30. Nci60_000711

    31. Ft-0667810

    32. 261d203

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 146.14 g/mol
    Molecular Formula C6H10O4
    XLogP3-1.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass146.05790880 g/mol
    Monoisotopic Mass146.05790880 g/mol
    Topological Polar Surface Area65.5 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity122
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count4
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents, Alkylating

    A class of drugs that differs from other alkylating agents used clinically in that they are monofunctional and thus unable to cross-link cellular macromolecules. Among their common properties are a requirement for metabolic activation to intermediates with antitumor efficacy and the presence in their chemical structures of N-methyl groups, that after metabolism, can covalently modify cellular DNA. The precise mechanisms by which each of these drugs acts to kill tumor cells are not completely understood. (From AMA, Drug Evaluations Annual, 1994, p2026) (See all compounds classified as Antineoplastic Agents, Alkylating.)

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