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    Technical details about Prestwick3_000835, learn more about the structure, uses, toxicity, action, side effects and more

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    Prestwick3_000835

    ACTIVE PHARMA INGREDIENTS

    PRICE INFORMATION

    PharmaCompass
    $ API Ref.Price (USD/KG) : 15,610Xls

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    2D Structure
    Also known as: Tetrahydroxyquinone, 319-89-1, 2,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dione, Tetrahydroxy-1,4-benzoquinone, Kelox, Tetrahydroxy-p-benzoquinone
    Molecular Formula
    C6H4O6
    Molecular Weight
    172.09  g/mol
    InChI Key
    DGQOCLATAPFASR-UHFFFAOYSA-N
    FDA UNII
    U7L4P6H0SU
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dione
    2.1.2 InChI
    InChI=1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8,11-12H
    2.1.3 InChI Key
    DGQOCLATAPFASR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1(=C(C(=O)C(=C(C1=O)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    U7L4P6H0SU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Tetrahydroxy-1,4-quinone

    2.3.2 Depositor-Supplied Synonyms

    1. Tetrahydroxyquinone

    2. 319-89-1

    3. 2,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dione

    4. Tetrahydroxy-1,4-benzoquinone

    5. Kelox

    6. Tetrahydroxy-p-benzoquinone

    7. Terasin

    8. Hpek-1

    9. Tetrahydroxy-p-quinone

    10. Tetrahydroxy-1,4-quinone

    11. Tetrahydroxyparabenzoquinone

    12. Tetroquinona

    13. Tetroquinonum

    14. 2,5-cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-

    15. 2,3,5,6-tetrahydroxy-p-benzoquinone

    16. Nsc-112931

    17. U7l4p6h0su

    18. Nsc112931

    19. Ncgc00095043-01

    20. P-benzoquinone, 2,3,5,6-tetrahydroxy-

    21. Dsstox_cid_25897

    22. Dsstox_rid_81209

    23. Dsstox_gsid_45897

    24. Tetrahydroxy-1,4-benzoquinone;tetrahydroxybenzoquinone

    25. Tetrochinone

    26. Tetrochinone [dcit]

    27. Tetrahydroxy-1,4-benzoquinone Hydrate

    28. Cas-319-89-1

    29. Tetroquinone [usan:inn]

    30. Unii-u7l4p6h0su

    31. Tetroquinonum [inn-latin]

    32. Tetroquinona [inn-spanish]

    33. Tetraoxychinon

    34. 2,3,5,6-tetrahydroxy-1,4-benzoquinone

    35. 4-benzoquinone

    36. Sr-05000002066

    37. Tetrahydroxy-1

    38. Tetrahydroxy Quinone

    39. Einecs 206-275-5

    40. Nsc 112931

    41. Tetrahydroxybenzoquinone

    42. Spectrum_001691

    43. Prestwick0_000835

    44. Prestwick1_000835

    45. Prestwick2_000835

    46. Prestwick3_000835

    47. Spectrum2_000866

    48. Spectrum3_000750

    49. Spectrum4_000847

    50. Spectrum5_001627

    51. Tetroquinone [mi]

    52. Tetroquinone (usan/inn)

    53. Tetroquinone [inn]

    54. Tetroquinone [usan]

    55. Bspbio_000789

    56. Bspbio_002340

    57. Kbiogr_001453

    58. Kbioss_002171

    59. Divk1c_000623

    60. Schembl167587

    61. Spectrum1503330

    62. Spbio_000911

    63. Spbio_002710

    64. 2,3,5,6-tetrahydroxy-2,5-cyclohexadiene-1,4-dione

    65. Bpbio1_000869

    66. Schembl4657549

    67. Chembl1329029

    68. Dtxsid9045897

    69. Hms501p05

    70. Kbio1_000623

    71. Kbio2_002171

    72. Kbio2_004739

    73. Kbio2_007307

    74. Kbio3_001560

    75. Chebi:137472

    76. Ninds_000623

    77. Hms1922a16

    78. Hms2093e07

    79. Pharmakon1600-01503330

    80. 2,5,6-tetrahydroxy-p-benzoquinone

    81. Hy-b1106

    82. Yea33416

    83. Zinc1665742

    84. Tox21_111400

    85. Ccg-39742

    86. Mfcd00001597

    87. Nsc758457

    88. P-benzoquinone,3,5,6-tetrahydroxy-

    89. Stl453704

    90. Akos006228209

    91. Tox21_111400_1

    92. Cs-4703

    93. Ds-3819

    94. Nsc-758457

    95. 2,4-dione, 2,3,5,6-tetrahydroxy-

    96. Idi1_000623

    97. Ncgc00095043-02

    98. Ncgc00095043-03

    99. Ncgc00095043-04

    100. Ncgc00095043-07

    101. 2,3,5,6-tetrahydroxybenzo-1,4-quinone

    102. Ac-18203

    103. 2,3,5,6-tetrahydroxy-[1,4]benzoquinone

    104. Sbi-0051815.p002

    105. Db-068561

    106. Tetrahydroxycyclohexa-2,5-diene-1,4-dione

    107. 2,3,5,6-tetrahydroxybenzo-1,4-quinone #

    108. Ft-0656093

    109. T1090

    110. D06096

    111. F17741

    112. Ab00052347_04

    113. A821088

    114. J-018590

    115. Q3546866

    116. Sr-05000002066-1

    117. 2,3,5,6-tetrahydroxy-2,5-cyclohexadien-1,4-dione

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 172.09 g/mol
    Molecular Formula C6H4O6
    XLogP3-0.6
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count0
    Exact Mass172.00078784 g/mol
    Monoisotopic Mass172.00078784 g/mol
    Topological Polar Surface Area115 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity272
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1