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Chemistry

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Also known as: 492-27-3, 4-hydroxyquinoline-2-carboxylic acid, Quinurenic acid, 4-hydroxyquinaldic acid, Kinurenic acid, Kynuronic 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

DTXCID5040675

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

2.2 Other Identifiers

2.2.1 UNII

H030S2S85J

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 492-27-3

2. 4-hydroxyquinoline-2-carboxylic Acid

3. Quinurenic Acid

4. 4-hydroxyquinaldic Acid

5. Kinurenic Acid

6. Kynuronic Acid

7. 2-quinolinecarboxylic Acid, 4-hydroxy-

8. 4-hydroxy-2-quinolinecarboxylic Acid

9. 4-hydroxyquinaldinic Acid

10. 4-oxo-1h-quinoline-2-carboxylic Acid

11. Chebi:18344

12. Nsc-58973

13. H030s2s85j

14. Dtxsid8075417

15. Acid, Kynurenic

16. Refchem:794384

17. Dtxcid5040675

18. 207-751-5

19. 13593-94-7

20. 4-oxo-1,4-dihydroquinoline-2-carboxylic Acid

21. Transtorine

22. 1,4-dihydro-4-oxoquinoline-2-carboxylic Acid

23. 4-hydroxy-2-quinolincarboxylic Acid

24. Quinaldic Acid, 4-hydroxy-

25. Mfcd00006753

26. Nsc 58973

27. Kyna

28. Nsc58973

29. Mfcd03197717

30. 2-carboxy-4-hydroxyquinoline

31. Chembl299155

32. Ccris 4428

33. Sr-01000075455

34. Einecs 207-751-5

35. Kynurensaeure

36. Kynurenic-acid

37. Unii-h030s2s85j

38. 4-hydroxy-2-quinolinecarboxylic Acid;4-hydroxy-quinaldic Acid;2-carboxy-4-hydroxyquinoline

39. Kynurenate; Kyna

40. 4-hydroxyquinaldate

41. Kya

42. 4-hydroxy-quinaldate

43. 4-hydroxyquinaldinate

44. Spectrum_001116

45. Tocris-0223

46. 4-hydroxy-quinaldic Acid

47. Spectrum2_001342

48. Spectrum3_001390

49. Spectrum4_000814

50. Spectrum5_001318

51. Lopac-k-3375

52. Quinurenic Acid

53. Kynurenate

54. Kynurenic Acid (standard)

55. Biomol-nt_000229

56. Bmse000410

57. Kynurenic Acid, >=98%

58. 4-oxo-1,4-dihydro-quinoline-2-carboxylic Acid

59. Kynurenic Acid [mi]

60. Lopac0_000716

61. Oprea1_032085

62. Schembl22979

63. Bspbio_002980

64. Kbiogr_001327

65. Kbioss_001596

66. Mls002172436

67. Divk1c_000309

68. Spectrum1500688

69. 1,4-dihydro-4-oxoquinoline-2-carboxylicacid

70. Spbio_001523

71. Bpbio1_001350

72. Gtpl2918

73. Orb1298768

74. Orb1980161

75. Schembl5144405

76. Schembl29366068

77. 4-hydroxy-2-chinolincarbonsaeure

78. Bdbm81975

79. Hczhheifkropdy-uhfffaoysa-

80. Hms500p11

81. Kbio1_000309

82. Kbio2_001596

83. Kbio2_004164

84. Kbio2_006732

85. Kbio3_002200

86. Ninds_000309

87. 4-hydroxyquinolinium-2-carboxylate

88. Hms1736a10

89. Hms1921c20

90. Hms2269g22

91. Hms3262o13

92. Hms3266c13

93. Hms3411c03

94. Hms3675c03

95. Hms3885d20

96. Albb-014130

97. Kynurenic Acid - Bio-x Trade Mark

98. Tox21_500716

99. Bbl027606

100. Bdbm50233945

101. Ccg-39280

102. Hb0362

103. Msk157317

104. Pdsp1_000132

105. Pdsp2_000131

106. S4719

107. Sbb003671

108. Stl294769

109. Stl301826

110. 4-hydroxy-quinoline-2-carboxylic Acid

111. Akos000118368

112. Akos000277721

113. Cs-w020664

114. Db11937

115. Fk24817

116. Gs-3763

117. Hy-100806r

118. Hy-w110662

119. Lp00716

120. Sb67494

121. Sb67643

122. Sdccgsbi-0050694.p003

123. Idi1_000309

124. Nsc_5280455

125. Smp1_000172

126. Ncgc00015581-01

127. Ncgc00015581-02

128. Ncgc00015581-03

129. Ncgc00015581-04

130. Ncgc00015581-05

131. Ncgc00015581-06

132. Ncgc00015581-07

133. Ncgc00015581-08

134. Ncgc00015581-09

135. Ncgc00015581-14

136. Ncgc00024505-01

137. Ncgc00024505-02

138. Ncgc00024505-03

139. Ncgc00024505-04

140. Ncgc00024505-05

141. Ncgc00024505-06

142. Ncgc00024505-07

143. Ncgc00261401-01

144. Bk166244

145. Cas_492-27-3

146. Smr000112310

147. St036704

148. St066912

149. Sy152524

150. Db-008408

151. Db-081634

152. Hy-100806

153. 4-oxo-1,4-dihydroquinoline-2-carboxylicacid

154. Cs-0168103

155. Eu-0100716

156. H0303

157. Ns00014859

158. En300-13998

159. C01717

160. K 3375

161. S12153

162. 593d947

163. Ae-641/00585057

164. F047165

165. F554963

166. Q642217

167. Sr-01000075455-1

168. Sr-01000075455-3

169. Brd-k85872723-001-15-9

170. Z94602408

171. 6f535706-b297-4930-a3fc-7a2823830118

172. Inchi=1/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)

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₇NO₃
Molecular Weight	189.17 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	66.4
Heavy Atom Count	14
Formal Charge	0
Complexity	308
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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.

4.2 Metabolism/Metabolites

Uremic toxins tend to accumulate in the blood either through dietary excess or through poor filtration by the kidneys. Most uremic toxins are metabolic waste products and are normally excreted in the urine or feces.

Drugs in Development