CAS 530-78-9

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Also known as: 530-78-9, Arlef, Fluphenamic acid, Nichisedan, Achless, 2-((3-(trifluoromethyl)phenyl)amino)benzoic acid

Molecular Formula

C₁₄H₁₀F₃NO₂

Molecular Weight

281.23 g/mol

InChI Key

LPEPZBJOKDYZAD-UHFFFAOYSA-N

FDA UNII

60GCX7Y6BH

An anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic properties. It is used in musculoskeletal and joint disorders and administered by mouth and topically. (From Martindale, The Extra Pharmacopoeia, 30th ed, p16)

1 2D Structure

CAS 530-78-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[3-(trifluoromethyl)anilino]benzoic acid

2.1.2 InChI

InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)

2.1.3 InChI Key

LPEPZBJOKDYZAD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F

2.2 Other Identifiers

2.2.1 UNII

60GCX7Y6BH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Acid, Flufenamic

2. Dignodolin

2.3.2 Depositor-Supplied Synonyms

1. 530-78-9

2. Arlef

3. Fluphenamic Acid

4. Nichisedan

5. Achless

6. 2-((3-(trifluoromethyl)phenyl)amino)benzoic Acid

7. Flufacid

8. Fullsafe

9. Lanceat

10. Paraflu

11. Plostene

12. Tecramine

13. Parlef

14. Parlif

15. Surika

16. Flufenaminsaeure

17. N-(3-trifluoromethylphenyl)anthranilic Acid

18. Reumajust A

19. Acido Flufenamico

20. Ristogen

21. Sastridex

22. Ansatin

23. Meralen

24. 2-{[3-(trifluoromethyl)phenyl]amino}benzoic Acid

25. Fluore-200

26. Ci 440

27. Nsc-82699

28. Ant-1

29. Benzoic Acid, 2-[[3-(trifluoromethyl)phenyl]amino]-

30. 3'-trifluoromethyldiphenylamine-2-carboxylic Acid

31. Acide Flufenamique

32. Cn-27,554

33. Acidum Flufenamicum

34. Tvx 916

35. Inf 1837

36. 2-[[3-(trifluoromethyl)phenyl]amino]benzoic Acid

37. 2-[3-(trifluoromethyl)anilino]benzoic Acid

38. C.i. 440

39. Inf-1837

40. Nsc 219007

41. Benzoic Acid, 2-((3-(trifluoromethyl)phenyl)amino)-

42. N-(alpha,alpha,alpha-trifluoro-m-tolyl)anthranilic Acid

43. 2-((3-trifluromethyl)phenyl)aminobenzoic Acid

44. 2-[[3-(trifluoromethyl)phenyl]amino] Benzoic Acid

45. N-(m-trifluoromethylphenyl)-2-aminobenzoic Acid

46. Nsc-219007

47. 60gcx7y6bh

48. Chembl23588

49. Mls000028563

50. Chebi:42638

51. N-[3-(trifluoromethyl)phenyl]anthranilic Acid

52. Saal-f

53. Ci-440

54. Ncgc00016490-06

55. Cas-530-78-9

56. Cn-27554

57. Smr000059027

58. N-(3-trifluoromethylphenyl)-anthranilic Acid

59. Dsstox_cid_3063

60. Wln: Qvr Bmr Cxfff

61. Dsstox_rid_76859

62. Dsstox_gsid_23063

63. Ffa

64. Flufenamicacid

65. N-(.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)anthranilic Acid

66. Flufenaminsaeure [german]

67. Acido Flufenamico [italian]

68. Flf

69. Ccris 5266

70. 2-[(3-trifluromethyl)phenyl]aminobenzoic Acid

71. N-[(3-trifluoromethyl)phenyl]anthranilic Acid

72. Acide Flufenamique [inn-french]

73. Acido Flufenamico [inn-spanish]

74. Acidum Flufenamicum [inn-latin]

75. N-((m-trifluoromethyl)phenyl)-2-aminobenzoic Acid

76. N-[(m-trifluoromethyl)phenyl]-2-aminobenzoic Acid

77. N-[m-(trifluoromethyl)phenyl]-2-aminobenzoic Acid

78. Sr-01000000241

79. Einecs 208-494-1

80. Anthranilic Acid,.alpha.,.alpha.-trifluoro-m-tolyl)-

81. N-(.alpha.,.alpha.-trifluoro-m-tolyl)anthranilic Acid

82. Unii-60gcx7y6bh

83. Flufenamic Acid [usan:inn:ban:jan]

84. Brn 1996069

85. Flufenamic-acid

86. Prestwick_220

87. Mfcd00002422

88. Arlef (tn)

89. Spectrum_001257

90. 1bm7

91. 2-(3-trifluoromethylanilino)benzoic Acid

92. Opera_id_578

93. Prestwick0_000203

94. Prestwick1_000203

95. Prestwick2_000203

96. Prestwick3_000203

97. Spectrum2_000789

98. Spectrum3_001273

99. Spectrum4_000102

100. Spectrum5_000686

101. Ec 208-494-1

102. Cbiol_001756

103. Schembl17497

104. Bspbio_000185

105. Bspbio_001319

106. Bspbio_002866

107. Cbdive_012649

108. Flufenamic Acid [mi]

109. Kbiogr_000039

110. Kbiogr_000424

111. Kbiogr_002267

112. Kbioss_000039

113. Kbioss_001737

114. Kbioss_002268

115. 3-14-00-00905 (beilstein Handbook Reference)

116. Mls001148610

117. Divk1c_000581

118. Flufenamic Acid [inn]

119. Flufenamic Acid [jan]

120. Spectrum1501015

121. Spbio_000898

122. Spbio_002106

123. Flufenamic Acid [usan]

124. Bpbio1_000205

125. Gtpl2447

126. Dtxsid7023063

127. Flufenamic Acid [mart.]

128. Bcbcmap01_000039

129. Bdbm17636

130. Hms501n03

131. Kbio1_000581

132. Kbio2_000039

133. Kbio2_001737

134. Kbio2_002267

135. Kbio2_002607

136. Kbio2_004305

137. Kbio2_004835

138. Kbio2_005175

139. Kbio2_006873

140. Kbio2_007403

141. Kbio3_000077

142. Kbio3_000078

143. Kbio3_002366

144. Kbio3_002747

145. Zinc86535

146. Anthranilic Acid, N-(alpha,alpha,alpha-trifluoro-m-tolyl)-

147. Flufenamic Acid [who-dd]

148. Cmap_000004

149. Ninds_000581

150. Bio1_000042

151. Bio1_000531

152. Bio1_001020

153. Bio2_000039

154. Bio2_000519

155. Flufenamic Acid (jan/usan/inn)

156. Hms1361b21

157. Hms1568j07

158. Hms1791b21

159. Hms1921b21

160. Hms1989b21

161. Hms2089e07

162. Hms2092b09

163. Hms2095j07

164. Hms2232g24

165. Hms3371f01

166. Hms3402b21

167. Hms3652f06

168. Hms3712j07

169. Hms3885p15

170. Pharmakon1600-01501015

171. Hy-b1221

172. Nsc82699

173. Tox21_110452

174. Tox21_302111

175. Ccg-40167

176. Nsc219007

177. Nsc757823

178. S4268

179. Stk985630

180. Akos000265536

181. Tox21_110452_1

182. Cs-4811

183. Db02266

184. Ks-1143

185. Nsc-757823

186. Idi1_000581

187. Idi1_033789

188. Ncgc00016490-01

189. Ncgc00016490-02

190. Ncgc00016490-03

191. Ncgc00016490-04

192. Ncgc00016490-05

193. Ncgc00016490-07

194. Ncgc00016490-08

195. Ncgc00016490-09

196. Ncgc00016490-10

197. Ncgc00016490-12

198. Ncgc00023200-03

199. Ncgc00023200-04

200. Ncgc00023200-05

201. Ncgc00023200-06

202. Ncgc00023200-07

203. Ncgc00255175-01

204. Cn-27544

205. Sbi-0051633.p002

206. Db-052254

207. 2-[3-(trifluoromethyl)anilino]-benzoic Acid

208. Ab00052198

209. Ft-0603454

210. N-(a,a,a-trifluoro-m-tolyl)anthranilic Acid

211. Sw196528-3

212. T2354

213. Unm000001246003

214. 2-[3-(trifluoromethyl)anilino]benzoic Acid #

215. 2-(3-(trifluoromethyl)phenylamino)benzoic Acid

216. 2-[(3-trifluoromethylphenyl)amino]benzoic Acid

217. A13333

218. D01581

219. D97458

220. Flufenamic Acid 100 Microg/ml In Acetonitrile

221. Ab00052198-14

222. Ab00052198_15

223. 530f789

224. Q416341

225. Sr-01000000241-2

226. Sr-01000000241-3

227. W-105772

228. Brd-k44067360-001-06-3

229. Brd-k44067360-001-16-2

230. F0909-0007

231. Flufenamic Acid, Analytical Standard, For Drug Analysis

232. Anthranilic Acid, N-(.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₀F₃NO₂
Molecular Weight	281.23 g/mol
XLogP3	5.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	281.06636305 g/mol
Monoisotopic Mass	281.06636305 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	346
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