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    Tegomil fumarate

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1817769-42-8, Mxd6kmg2zp, Refchem:1099421, Tegomil fumurate, Fumurate de tegomil, Fumurato de tegomil
    Molecular Formula
    C18H26O11
    Molecular Weight
    418.4  g/mol
    InChI Key
    XBRIIHOHDRTZMQ-GGWOSOGESA-N
    FDA UNII
    MXD6KMG2ZP
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-O-[2-[2-[2-[2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethyl] 1-O-methyl (E)-but-2-enedioate
    2.1.2 InChI
    InChI=1S/C18H26O11/c1-23-15(19)3-5-17(21)28-13-11-26-9-7-25-8-10-27-12-14-29-18(22)6-4-16(20)24-2/h3-6H,7-14H2,1-2H3/b5-3+,6-4+
    2.1.3 InChI Key
    XBRIIHOHDRTZMQ-GGWOSOGESA-N
    2.2 Other Identifiers
    2.2.1 UNII
    MXD6KMG2ZP
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1817769-42-8

    2. Mxd6kmg2zp

    3. Refchem:1099421

    4. Tegomil Fumurate

    5. Fumurate De Tegomil

    6. Fumurato De Tegomil

    7. Tegomil Fumarate [inn]

    8. Orb1943741

    9. Chembl5314544

    10. Schembl17187305

    11. Da-68022

    12. Hy-156645

    13. Cs-0887138

    14. 1,21-dimethyl (2e,19e)-4,18-dioxo-5,8,11,14,17-pentaoxaheneicosa-2,19-dienedioate

    15. 5,8,11,14,17-pentaoxaheneicosa-2,19-dienedioic Acid, 4,18-dioxo-, 1,21-dimethyl Ester, (2e,19e)-

    2.4 Create Date
    2015-11-09
    3 Chemical and Physical Properties
    Molecular Weight 418.4 g/mol
    Molecular Formula C18H26O11
    XLogP3-0.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count20
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area133
    Heavy Atom Count29
    Formal Charge0
    Complexity506
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    L - Antineoplastic and immunomodulating agents

    L04 - Immunosuppressants

    L04A - Immunosuppressants

    L04AX - Other immunosuppressants

    L04AX10 - Tegomil fumarate

    ATCvet Code

    QL - Antineoplastic and immunomodulating agents

    QL04 - Immunosuppressants

    QL04A - Immunosuppressants

    QL04AX - Other immunosuppressants

    QL04AX10 - Tegomil fumarate