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    CAS 50358-63-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6-amino-5-bromoquinoxaline, 50358-63-9, 5-bromo-6-quinoxalinamine, 6-quinoxalinamine, 5-bromo-, Mfcd00799024, Eu356da5q4
    Molecular Formula
    C8H6BrN3
    Molecular Weight
    224.06  g/mol
    InChI Key
    IRAOSCSPAYZRJE-UHFFFAOYSA-N
    FDA UNII
    EU356DA5Q4
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-bromoquinoxalin-6-amine
    2.1.2 InChI
    InChI=1S/C8H6BrN3/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-4H,10H2
    2.1.3 InChI Key
    IRAOSCSPAYZRJE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=NC=CN=C2C(=C1N)Br
    2.2 Other Identifiers
    2.2.1 UNII
    EU356DA5Q4
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 6-amino-5-bromoquinoxaline

    2. 50358-63-9

    3. 5-bromo-6-quinoxalinamine

    4. 6-quinoxalinamine, 5-bromo-

    5. Mfcd00799024

    6. Eu356da5q4

    7. 134892-45-8

    8. Brimonidine Related Compound (5-bromo-6-aminoquinoxaline)

    9. 6-aminochinoxalin-5-bromchinoxalin

    10. 5-bromo-6-aminoquinoxaline

    11. Unii-eu356da5q4

    12. 6-amino-5-bromo Quinoxaline

    13. Schembl180196

    14. Dtxsid701310968

    15. Ac-193

    16. Am9700

    17. Bbl023036

    18. Stl356016

    19. Zinc16123529

    20. Brimonidine Tartrate Impurity B [ep]

    21. Akos015854599

    22. Cs-w022443

    23. Sy030906

    24. Ts-03199

    25. Ft-0620934

    26. Ft-0650286

    27. 358a639

    28. Q-100562

    29. Brimonidine Tartrate Impurity B [ep Impurity]

    2.4 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 224.06 g/mol
    Molecular Formula C8H6BrN3
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass222.97451 g/mol
    Monoisotopic Mass222.97451 g/mol
    Topological Polar Surface Area51.8 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity164
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1