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    Aristolochic Acid II

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Aristolochic acid b, 475-80-9, Bb72d5pu2y, Chembl602280, Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 6-nitro-, 6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid
    Molecular Formula
    C16H9NO6
    Molecular Weight
    311.24  g/mol
    InChI Key
    MEEXETVZNQYRSP-UHFFFAOYSA-N
    FDA UNII
    BB72D5PU2Y
    aristolochic acid II is a natural product found in Aristolochia, Aristolochia macrophylla, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
    2.1.2 InChI
    InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)
    2.1.3 InChI Key
    MEEXETVZNQYRSP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    BB72D5PU2Y
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Aristolochic Acid B

    2.3.2 Depositor-Supplied Synonyms

    1. Aristolochic Acid B

    2. 475-80-9

    3. Bb72d5pu2y

    4. Chembl602280

    5. Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic Acid, 6-nitro-

    6. 6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic Acid

    7. 6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic Acid

    8. Ccris 6497

    9. Einecs 207-499-6

    10. Unii-bb72d5pu2y

    11. Brn 0329754

    12. Aristolochicacidb

    13. 5-19-07-00425 (beilstein Handbook Reference)

    14. Schembl571697

    15. 6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic Acid

    16. Dtxsid00197166

    17. 3,4-(methylenedioxy)-10-nitrophenanthrene-1-carboxylic Acid

    18. Hy-n0511

    19. Zinc2383163

    20. Aristolochic Acid Ii , Hplc Grade

    21. Bdbm50306854

    22. Mfcd01708574

    23. Akos015889601

    24. Aristolochic Acid B, >=97% (hplc)

    25. Ac-34517

    26. As-78438

    27. Cs-0009051

    28. Ft-0622473

    29. A904448

    30. Q-100503

    31. Q2548975

    32. 6-nitro-phenanthro-[3,4-d]-1,3-dioxole-5-carboxylic Acid

    33. B2703-350870

    34. 10-nitro-3,4-(epoxymethanoxy)phenanthrene-1-carboxylic Acid

    35. Gor

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 311.24 g/mol
    Molecular Formula C16H9NO6
    XLogP33.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count1
    Exact Mass311.04298701 g/mol
    Monoisotopic Mass311.04298701 g/mol
    Topological Polar Surface Area102 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity505
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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