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    Pyrroloquinoline Quinone

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 1,201Xls

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    2D Structure
    Also known as: Methoxatin, 72909-34-3, 4,5-dioxo-4,5-dihydro-1h-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, Coenzyme pqq, Pyrrolo-quinoline quinone, Methoxatine
    Molecular Formula
    C14H6N2O8
    Molecular Weight
    330.21  g/mol
    InChI Key
    MMXZSJMASHPLLR-UHFFFAOYSA-N
    FDA UNII
    47819QGH5L
    A pyrrolo-quinoline having two adjacent keto-groups at the 4 and 5 positions and three acidic carboxyl groups. It is a coenzyme of some DEHYDROGENASES.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
    2.1.2 InChI
    InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
    2.1.3 InChI Key
    MMXZSJMASHPLLR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)O)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    47819QGH5L
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2,7,9-tricarboxy-1h-pyrrolo-(2,3-f)quinoline-4,5-dione

    2. 2,7,9-tricarboxypyrroloquinoline Quinone

    3. 4,5-dihydro-4,5-dioxo-1-h-pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylic Acid

    4. Coenzyme Pqq

    5. Coenzyme, Pqq

    6. Cofactor, Pqq

    7. Methoxatin

    8. Pqq Coenzyme

    9. Pqq Cofactor

    10. Pqq, Coenzyme

    11. Pyrrolo Quinoline Quinone

    12. Pyrrolo-quinoline Quinone

    13. Quinone, Pyrrolo-quinoline

    14. Quinone, Pyrroloquinoline

    2.3.2 Depositor-Supplied Synonyms

    1. Methoxatin

    2. 72909-34-3

    3. 4,5-dioxo-4,5-dihydro-1h-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic Acid

    4. Coenzyme Pqq

    5. Pyrrolo-quinoline Quinone

    6. Methoxatine

    7. Pyrroloquinoline-quinone

    8. 4,5-dioxo-1h-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic Acid

    9. Pqq

    10. Pqq;methoxatin

    11. Unii-47819qgh5l

    12. Chebi:18315

    13. 4,5-dioxo-1h,4h,5h-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic Acid

    14. Pyrroloquinoline Quinone(pqq)

    15. 47819qgh5l

    16. Pyrroloquinolinedione Tricarboxylic Acid

    17. 2,7,9-tricarboxy-1h-pyrrolo(2,3-f)quinoline-4,5-dione

    18. Pqq Coenzyme

    19. Pqq Cofactor

    20. 1h-pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylic Acid, 4,5-dihydro-4,5-dioxo-

    21. 4,5-dihydro-4,5-dioxo-1h-pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylic Acid

    22. 4,5-dihydro-4,5-dioxo-1h-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic Acid

    23. Methoxantin

    24. 2,7,9-tricarboxypyrroloquinoline Quinone

    25. 1h-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic Acid, 4,5-dihydro-4,5-dioxo-

    26. 2,4,6-tricarboxylic-pyrrolo[2,3-5,6]quinoline 8,9-quinone

    27. Pyroquinoline Quinone

    28. Pyrroloquinoline Dione

    29. 4,5-dihydro-4,5-dioxo-1h-pyrrolo[2,3-5,6]quinoline-2,7,9-tricarboxylic Acid

    30. Pyrroloquinoline Quinone/pqq

    31. Schembl37975

    32. Pyrroloquinoline Quinone (pqq)

    33. Chembl1235421

    34. Dtxsid3041162

    35. Schembl21049248

    36. Glxc-26180

    37. Bcp06301

    38. Zinc1532545

    39. Bdbm50575553

    40. Mfcd00043125

    41. Akos015920260

    42. Cs-w009276

    43. Db03205

    44. Gs-6613

    45. Pyrroloquinoline Quinone [inci]

    46. Pyrroloquinoline Dione Tricarboxylic Acid

    47. Pyrroloquinoline Quinone [who-dd]

    48. Pyrroloquinolinedione Tricarboxylate

    49. Db-055694

    50. Hy-100196

    51. Ft-0617182

    52. P2781

    53. Pyrroloquinoline Quinone, >=95.0% (hplc)

    54. Pyrroloquinoline Quinone, >=97.0% (hplc)

    55. C00113

    56. 909m343

    57. Q414583

    58. 2,7,9-tricarboxy-4,5-dihydro-4,5-dioxo-1h-pyrrolo(2,3-f)quinoline

    59. 4,5-dioxo-4,5-dihydro-1h-pyrrolo-[2,3-f]quinoline-2,7,9-tricarboxylic Acid

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 330.21 g/mol
    Molecular Formula C14H6N2O8
    XLogP3-0.1
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count3
    Exact Mass330.01241515 g/mol
    Monoisotopic Mass330.01241515 g/mol
    Topological Polar Surface Area175 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity647
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1