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    CAS_492-27-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 4-hydroxyquinoline-2-carboxylic acid, 492-27-3, 13593-94-7, Transtorine, Kynurenate, 4-oxo-1,4-dihydroquinoline-2-carboxylic acid
    Molecular Formula
    C10H7NO3
    Molecular Weight
    189.17  g/mol
    InChI Key
    HCZHHEIFKROPDY-UHFFFAOYSA-N
    FDA UNII
    H030S2S85J
    A broad-spectrum excitatory amino acid antagonist used as a research tool.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-oxo-1H-quinoline-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
    2.1.3 InChI Key
    HCZHHEIFKROPDY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    H030S2S85J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acid, Kynurenic

    2. Kynurenate

    2.3.2 Depositor-Supplied Synonyms

    1. 4-hydroxyquinoline-2-carboxylic Acid

    2. 492-27-3

    3. 13593-94-7

    4. Transtorine

    5. Kynurenate

    6. 4-oxo-1,4-dihydroquinoline-2-carboxylic Acid

    7. Quinurenic Acid

    8. 4-hydroxyquinaldic Acid

    9. 4-hydroxy-2-quinolincarboxylic Acid

    10. Kinurenic Acid

    11. Kynuronic Acid

    12. 1,4-dihydro-4-oxoquinoline-2-carboxylic Acid

    13. 2-quinolinecarboxylic Acid, 4-hydroxy-

    14. 4-hydroxy-2-quinolinecarboxylic Acid

    15. 4-hydroxyquinaldinic Acid

    16. 4-oxo-1h-quinoline-2-carboxylic Acid

    17. Quinaldic Acid, 4-hydroxy-

    18. Kyna

    19. Nsc 58973

    20. Kynurenic-acid

    21. Chebi:18344

    22. Nsc58973

    23. Nsc-58973

    24. 2-carboxy-4-hydroxyquinoline

    25. Chembl299155

    26. H030s2s85j

    27. 4-oxo-1,4-dihydro-quinoline-2-carboxylic Acid

    28. 1,4-dihydro-4-oxoquinoline-2-carboxylicacid

    29. 4-hydroxyquinoline-2-carboxylate

    30. Ccris 4428

    31. Sr-01000075455

    32. Einecs 207-751-5

    33. Kynurensaeure

    34. Unii-h030s2s85j

    35. 4-hydroxyquinaldate

    36. Kya

    37. Mfcd00006753

    38. 4-hydroxy-quinaldate

    39. 4-hydroxyquinaldinate

    40. Spectrum_001116

    41. Tocris-0223

    42. 4-hydroxy-quinaldic Acid

    43. Spectrum2_001342

    44. Spectrum3_001390

    45. Spectrum4_000814

    46. Spectrum5_001318

    47. Lopac-k-3375

    48. Quinurenic Acid

    49. Kynurenate

    50. Biomol-nt_000229

    51. Bmse000410

    52. Kynurenic Acid, >=98%

    53. Kynurenic Acid [mi]

    54. Lopac0_000716

    55. Oprea1_032085

    56. Schembl22979

    57. Bspbio_002980

    58. Kbiogr_001327

    59. Kbioss_001596

    60. Mls002172436

    61. Divk1c_000309

    62. Spectrum1500688

    63. Spbio_001523

    64. Bpbio1_001350

    65. Gtpl2918

    66. Dtxsid8075417

    67. 4-hydroxy-2-chinolincarbonsaeure

    68. Bdbm81975

    69. Hczhheifkropdy-uhfffaoysa-

    70. Hms500p11

    71. Kbio1_000309

    72. Kbio2_001596

    73. Kbio2_004164

    74. Kbio2_006732

    75. Kbio3_002200

    76. Ninds_000309

    77. 4-hydroxyquinolinium-2-carboxylate

    78. Hms1736a10

    79. Hms1921c20

    80. Hms2269g22

    81. Hms3262o13

    82. Hms3266c13

    83. Hms3411c03

    84. Hms3675c03

    85. Hms3885d20

    86. 4-hydroxyquinoline-2-carboxylicacid

    87. Albb-014130

    88. Amy18102

    89. Zinc8584773

    90. Tox21_500716

    91. Bbl027606

    92. Bdbm50233945

    93. Ccg-39280

    94. Mfcd03197717

    95. Pdsp1_000132

    96. Pdsp2_000131

    97. S4719

    98. Stl294769

    99. Stl301826

    100. 4-hydroxy-quinoline-2-carboxylic Acid

    101. Akos000118368

    102. Akos000277721

    103. Cs-w020664

    104. Db11937

    105. Gs-3763

    106. Hy-w110662

    107. Lp00716

    108. Sb67494

    109. Sb67643

    110. Sdccgsbi-0050694.p003

    111. Idi1_000309

    112. Nsc_5280455

    113. Smp1_000172

    114. Ncgc00015581-01

    115. Ncgc00015581-02

    116. Ncgc00015581-03

    117. Ncgc00015581-04

    118. Ncgc00015581-05

    119. Ncgc00015581-06

    120. Ncgc00015581-07

    121. Ncgc00015581-08

    122. Ncgc00015581-09

    123. Ncgc00015581-14

    124. Ncgc00024505-01

    125. Ncgc00024505-02

    126. Ncgc00024505-03

    127. Ncgc00024505-04

    128. Ncgc00024505-05

    129. Ncgc00024505-06

    130. Ncgc00024505-07

    131. Ncgc00261401-01

    132. Bk166244

    133. Cas_492-27-3

    134. Smr000112310

    135. Db-008408

    136. Db-081634

    137. Hy-100806

    138. 4-oxo-1,4-dihydroquinoline-2-carboxylicacid

    139. B6227

    140. Bb 0262293

    141. Cs-0168103

    142. Eu-0100716

    143. Ft-0670692

    144. Ft-0683827

    145. H0303

    146. En300-13998

    147. C01717

    148. K 3375

    149. K-8900

    150. S12153

    151. 593d947

    152. A847277

    153. Ae-641/00585057

    154. Q642217

    155. J-006786

    156. Sr-01000075455-1

    157. Sr-01000075455-3

    158. Z94602408

    159. 6f535706-b297-4930-a3fc-7a2823830118

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 189.17 g/mol
    Molecular Formula C10H7NO3
    XLogP31.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass189.042593085 g/mol
    Monoisotopic Mass189.042593085 g/mol
    Topological Polar Surface Area66.4 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity309
    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

    Excitatory Amino Acid Antagonists

    Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists. (See all compounds classified as Excitatory Amino Acid Antagonists.)