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    Aristolochic Acid C

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 4849-90-5, Aristolochicacidc, 10-hydroxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid, Chembl603494, Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 10-hydroxy-6-nitro-, Phenanthro[3,4-d]-1,3-dioxole-5-carboxylicacid, 10-hydroxy-6-nitro-
    Molecular Formula
    C16H9NO7
    Molecular Weight
    327.24  g/mol
    InChI Key
    NBFGYDJKTHENDP-UHFFFAOYSA-N
    10-hydroxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid is a natural product found in Aristolochia kaempferi and Aristolochia heterophylla with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    10-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
    2.1.2 InChI
    InChI=1S/C16H9NO7/c18-8-2-1-7-3-11(17(21)22)13-10(16(19)20)5-12-15(24-6-23-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,19,20)
    2.1.3 InChI Key
    NBFGYDJKTHENDP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1OC2=C(O1)C3=C4C=C(C=CC4=CC(=C3C(=C2)C(=O)O)[N+](=O)[O-])O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Aristolochiac Acid C

    2.2.2 Depositor-Supplied Synonyms

    1. 4849-90-5

    2. Aristolochicacidc

    3. 10-hydroxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic Acid

    4. Chembl603494

    5. Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic Acid, 10-hydroxy-6-nitro-

    6. Phenanthro[3,4-d]-1,3-dioxole-5-carboxylicacid, 10-hydroxy-6-nitro-

    7. Aristolochiac Acid C

    8. Aristolochic Acid Iiia

    9. Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic Acid, 10-hydroxy-6-nitro-

    10. Aristolochic Acid-iiia

    11. 10-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic Acid

    12. Dtxsid00197540

    13. Hy-n1450

    14. Zinc2506675

    15. Bdbm50306858

    16. Akos015897115

    17. Ac-34490

    18. As-77006

    19. Cs-0016891

    20. Ft-0662284

    21. 849a905

    22. 1h-pyrazolo[3,4-d]pyrimidin-4-amine,6-(methylthio)-

    23. Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic Aicd, 10-hydroxy-6-nitro-

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 327.24 g/mol
    Molecular Formula C16H9NO7
    XLogP33.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count1
    Exact Mass327.03790163 g/mol
    Monoisotopic Mass327.03790163 g/mol
    Topological Polar Surface Area122 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity535
    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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