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    Rabeximod

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: Rob 803, 872178-65-9, Rabeximod [inn], Rob-803, J4d3k58w3z, Rabeximodum
    Molecular Formula
    C22H24ClN5O
    Molecular Weight
    409.9  g/mol
    InChI Key
    PDNNUMNEXITLCZ-UHFFFAOYSA-N
    FDA UNII
    J4D3K58W3Z
    Rabeximod is an orally administered compound for treatment of moderate or severe active rheumatoid arthritis that is currently undergoing phase II clinical testing in eight European countries.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)-N-[2-(dimethylamino)ethyl]acetamide
    2.1.2 InChI
    InChI=1S/C22H24ClN5O/c1-13-9-17-18(10-14(13)2)26-22-21(25-17)16-11-15(23)5-6-19(16)28(22)12-20(29)24-7-8-27(3)4/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,29)
    2.1.3 InChI Key
    PDNNUMNEXITLCZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC2=C(C=C1C)N=C3C(=N2)C4=C(N3CC(=O)NCCN(C)C)C=CC(=C4)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    J4D3K58W3Z
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Rob 803

    2. 872178-65-9

    3. Rabeximod [inn]

    4. Rob-803

    5. J4d3k58w3z

    6. Rabeximodum

    7. Rabeximodum [inn]

    8. Unii-j4d3k58w3z

    9. Rob803

    10. Gtpl9856

    11. Schembl16053849

    12. Dtxsid701007428

    13. Db05772

    14. Sb18674

    15. Q27281185

    16. 2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)-n-[2-(dimethylamino)ethyl]acetamide

    17. 2-(9-chloro-2,3-dimethyl-6h-indolo[2,3-b]quinoxalin-6-yl)-n-[2-(dimethylamino)ethyl]ethanimidic Acid

    18. 6h-indolo(2,3-b)quinoxaline-6-acetamide, 9-chloro-n-(2-(dimethylamino)ethyl)-2,3-dimethyl-

    2.4 Create Date
    2012-03-21
    3 Chemical and Physical Properties
    Molecular Weight 409.9 g/mol
    Molecular Formula C22H24ClN5O
    XLogP33.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass409.1669381 g/mol
    Monoisotopic Mass409.1669381 g/mol
    Topological Polar Surface Area63 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity590
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in rheumatoid arthritis.

    5 Pharmacology and Biochemistry
    5.1 Pharmacology

    Rob 803 is an immunomodulator.