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    CAS-521-31-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 3-aminophthalhydrazide, 521-31-3, 5-amino-2,3-dihydrophthalazine-1,4-dione, 5-amino-2,3-dihydro-1,4-phthalazinedione, 3-aminophthalic hydrazide, 1,4-phthalazinedione, 5-amino-2,3-dihydro-
    Molecular Formula
    C8H7N3O2
    Molecular Weight
    177.16  g/mol
    InChI Key
    HWYHZTIRURJOHG-UHFFFAOYSA-N
    FDA UNII
    5EXP385Q4F
    5-Amino-2,3-dihydro-1,4-phthalazinedione. Substance that emits light on oxidation. It is used in chemical determinations.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-amino-2,3-dihydrophthalazine-1,4-dione
    2.1.2 InChI
    InChI=1S/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12/h1-3H,9H2,(H,10,12)(H,11,13)
    2.1.3 InChI Key
    HWYHZTIRURJOHG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C(=C1)N)C(=O)NNC2=O
    2.2 Other Identifiers
    2.2.1 UNII
    5EXP385Q4F
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 3-aminophthalhydrazide

    2. 521-31-3

    3. 5-amino-2,3-dihydrophthalazine-1,4-dione

    4. 5-amino-2,3-dihydro-1,4-phthalazinedione

    5. 3-aminophthalic Hydrazide

    6. 1,4-phthalazinedione, 5-amino-2,3-dihydro-

    7. 5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione

    8. 3-aminophthalic Acid Hydrazide

    9. 3-aminophthalylhydrazide

    10. Nsc 5064

    11. Nsc5064

    12. 5-amino-2,3-dihydro-phthalazine-1,4-dione

    13. Mfcd00006890

    14. 5-aminophthalazine-1,4-diol

    15. 5-amino-2,3-dihydro-1,4-phthalazinedone

    16. Mls002637790

    17. 1,2-benzenedicarboxylic Acid, 3-amino-, Cyclic Hydrazide

    18. 5exp385q4f

    19. Chembl442329

    20. Nsc-5064

    21. O-aminophthalylhydrazide

    22. Ccris 5962

    23. Einecs 208-309-4

    24. O-aminophthaloyl Hydrazide

    25. Unii-5exp385q4f

    26. Ai3-52555

    27. Luminol, 97%

    28. Monosodium-alpha-luminol

    29. 3-aminophthaloylhydrazine

    30. Luminol [mi]

    31. 20666-12-0

    32. Dsstox_cid_4504

    33. Luminol, Saj Special Grade

    34. Dsstox_rid_77433

    35. Dsstox_gsid_24504

    36. Oprea1_698774

    37. Oprea1_819727

    38. Schembl20086

    39. 3-aminophthalhydrazine

    40. 5-amino-1,4-phthalazinediol

    41. 1, 5-amino-2,3-dihydro-

    42. Luminol, >=97% (hplc)

    43. Dtxsid5024504

    44. 1, 3-amino-, Cyclic Hydrazide

    45. 1h-1,2,4-triazole,3-iodo-

    46. 5-amino-1,4-dihydroxyphthalazine

    47. Hms3093k04

    48. Albb-019203

    49. Bcp18652

    50. Str04818

    51. Tox21_200940

    52. Bbl002758

    53. Bdbm50125759

    54. S6819

    55. Stk138069

    56. Stl280212

    57. Zinc12405253

    58. Akos000111313

    59. Akos002945870

    60. Akos016399881

    61. Sdccgmls-0065581.p001

    62. 5-amino-4-hydroxyphthalazin-1(2h)-one

    63. Ncgc00091452-01

    64. Ncgc00091452-02

    65. Ncgc00258494-01

    66. Ac-13306

    67. Ac-33248

    68. Cas-521-31-3

    69. Hy-15922

    70. Smr001547307

    71. Sy011102

    72. Bb 0245795

    73. Eu-0066798

    74. Ft-0615056

    75. En300-16893

    76. L-8600

    77. L-8601

    78. L-8610

    79. 521a313

    80. A814795

    81. A828942

    82. Luminol, For Chemiluminescence, >=98.0% (hplc)

    83. Q408061

    84. Sr-01000389300

    85. 5-amino-1,2,3,4-tetrahydro-1,4-phthalazinedione

    86. Sr-01000389300-1

    87. Z56813244

    88. F1313-0002

    89. 5-amino-2,3-dihydrophthalazine-1,4-dione;luminol Sodium Salt

    90. (e)-4-oxo-4-(3-triethoxysilylpropylamino)but-2-enoic Acid;luminol

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 177.16 g/mol
    Molecular Formula C8H7N3O2
    XLogP30.3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass177.053826475 g/mol
    Monoisotopic Mass177.053826475 g/mol
    Topological Polar Surface Area84.2 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity254
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Indicators and Reagents

    Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)

    Luminescent Agents

    Compound such as LUMINESCENT PROTEINS that cause or emit light (PHYSICAL LUMINESCENCE). (See all compounds classified as Luminescent Agents.)