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Chemistry

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Also known as: 85-73-4, Sulfathalidine, Phthalylsulphathiazole, Phthalazol, Phthalylsulfonazole, Cremothalidine

Molecular Formula

C₁₇H₁₃N₃O₅S₂

Molecular Weight

403.4 g/mol

InChI Key

PBMSWVPMRUJMPE-UHFFFAOYSA-N

FDA UNII

6875L5852V

Phthalylsulfathiazole is a broad spectrum antimicrobial agent. Phthalylsulfathiazole is used in the treatment of dysentery, colitis, and gastroenteritis.

1 2D Structure

Phthalylsulfathiazole

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid

2.1.2 InChI

InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)

2.1.3 InChI Key

PBMSWVPMRUJMPE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

6875L5852V

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ftalazol

2. Phthalazol

3. Phthalylsulfathiazole Monosodium Salt

2.3.2 Depositor-Supplied Synonyms

1. 85-73-4

2. Sulfathalidine

3. Phthalylsulphathiazole

4. Phthalazol

5. Phthalylsulfonazole

6. Cremothalidine

7. Sulphaphthalyl

8. Phthalazole

9. Sulfaphthalazole

10. Phthalylnorsulfazole

11. Enteramida

12. Entexidina

13. Phtalazol

14. N4-phthalylsulfathiazole

15. Intestiazol

16. Phthalidin

17. Sulfacetil

18. Thalistanin

19. Thalistatyl

20. Ultratiazol

21. Ftalazol

22. Ftalysept

23. Sulftalyl

24. Taleudron

25. Talidine

26. Taloudron

27. Thalazole

28. Thalinil

29. Entero-sulfina

30. Ftalil-esteve

31. Ftalil-septol

32. Phthaloylsulfathiazole

33. Afi-ftalyl

34. Phtalylsulfathiazol

35. 4'-(2-thiazolylsulfamyl)phthalanilic Acid

36. Phthalylsulfathiazolum

37. 4'-(2-thiazolylsulfamoyl)phthalanilic Acid

38. Ftalilsulfatiazol

39. Ftalylsulfathiazol

40. 2-(p-n-phthalylsulfanilyl)aminothiazole

41. 2-(p-phthalylaminobenzenesulfamido)thiazole

42. 2-(n4-phthalylaminobenzenesulfonamide)thiazole

43. (o-carboxybenzoyl)-p-aminophenylsulfonamidothiazole

44. 2-((4-(n-(thiazol-2-yl)sulfamoyl)phenyl)carbamoyl)benzoic Acid

45. Phthalylsulfathiazole [inn]

46. Nsc 66454

47. Nsc 683525

48. 2-(n(sup4)-phthalylsulfanilamido)thiazole

49. 2-(n(sup 4)-phthalylsulfanilamido)thiazole

50. Nsc-66454

51. Phthalanilic Acid, 4'-(2-thiazolylsulfamoyl)-

52. 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic Acid

53. Nsc-683525

54. 2-(n(sup 4)-phthalyaminobenzenesulfonamide)thiazole

55. 2-(n(sup 4)-phthalyaminobenzenesulfonamido)thiazole

56. Mls002693575

57. Chebi:9336

58. 85-73-4 (free)

59. Phthalazolum

60. Sulfanilamide, N(sup 4)-(o-carboxybenzoyl)-n'-2-thiazolyl-

61. 2-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl}benzoic Acid

62. 2-({4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}carbamoyl)benzoic Acid

63. Benzoic Acid, 2-(((4-((2-thiazolylamino)sulfonyl)phenyl)amino)carbonyl)-

64. Benzoic Acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]-

65. Nsc66454

66. Nsc683525

67. Cas-85-73-4

68. Ncgc00016337-02

69. 2-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic Acid

70. Entexidin

71. 6875l5852v

72. Dsstox_cid_3470

73. Phthalylsulfathiazole (inn)

74. Dsstox_rid_77039

75. Dsstox_gsid_23470

76. Ftalilsofatiazolo

77. Ftalilsofatiazolo [dcit]

78. Phthalylsulfathiazole(pst)

79. 2-[({4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}amino)carbonyl]benzoic Acid

80. Ftalylsulfathiazol [czech]

81. Smr001233366

82. Ftalilsulfatiazol [inn-spanish]

83. Phtalylsulfathiazol [inn-french]

84. Phthalylsulfathiazolum [inn-latin]

85. Sr-05000001793

86. Einecs 201-627-4

87. Ai3-18632

88. Sulfaphtalylthiazol

89. Phthalylsulfathiazol

90. Unii-6875l5852v

91. Prestwick_980

92. 2-(n4-phthalylsulfanilamido)thiazole

93. Phthalylsulfathiazole [usp:inn:ban]

94. Phthalylsulfhathiazole

95. Phthalylsulphathiozole

96. Spectrum_000047

97. Prestwick0_000869

98. Prestwick1_000869

99. Prestwick2_000869

100. Prestwick3_000869

101. Spectrum3_001486

102. Spectrum4_000154

103. Spectrum5_001147

104. 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]benzoic Acid

105. Component Of Sulfathalidine

106. Ec 201-627-4

107. Oprea1_620492

108. Bspbio_000917

109. Bspbio_003071

110. Kbiogr_000628

111. Kbioss_000427

112. Mls002154042

113. Divk1c_001029

114. Schembl152662

115. Spectrum1502021

116. Spbio_002838

117. Bpbio1_001009

118. Chembl1524273

119. Dtxsid8023470

120. Hms503m19

121. Kbio1_001029

122. Kbio2_000427

123. Kbio2_002995

124. Kbio2_005563

125. Kbio3_002571

126. Phthalylsulfathiazole [mi]

127. Ninds_001029

128. Hms1570n19

129. Hms1921d22

130. Hms2092n19

131. Hms2097n19

132. Hms2230g21

133. Hms3374a01

134. Hms3714n19

135. Pharmakon1600-01502021

136. Hy-b1407

137. Str05252

138. Zinc1530877

139. Tox21_110380

140. Mfcd00005318

141. Nsc758159

142. Phthalylsulfathiazole [mart.]

143. S5700

144. Stk730435

145. Wln: T5n Csj Bmswr Dmvr Bvq

146. Phthalylsulfathiazole [who-dd]

147. Akos000745948

148. Tox21_110380_1

149. Ccg-212977

150. Cs-4862

151. Db13248

152. Nsc-758159

153. Idi1_001029

154. Ncgc00016337-01

155. Ncgc00016337-03

156. Ncgc00016337-05

157. Ncgc00094943-01

158. Ncgc00094943-02

159. Ac-19044

160. Sbi-0051702.p002

161. Sbi-0051702.p003

162. Db-056881

163. Phthalylsulfathiazole [ep Monograph]

164. Ab00052257

165. Ft-0631402

166. T0703

167. 2-(n4-phthalylaminobenzenesulfonamido)thiazole

168. C07659

169. D02440

170. D78257

171. Ab00052257_08

172. A841437

173. Q4493189

174. Sr-05000001793-1

175. Sr-05000001793-3

176. Brd-k64659768-001-04-5

177. Sulfanilamide, N4-(o-carboxybenzoyl)-n'-2-thiazolyl-

178. 2-(4-(n-thiazol-2-ylsulfamoyl)phenylcarbamoyl)benzoic Acid

179. N4-phthalylsulfathiazole, Vetranal(tm), Analytical Standard

180. 2-((4-[(1,3-thiazol-2-ylamino)sulfonyl]anilino)carbonyl)benzoic Acid #

181. 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]-benzoic Acid

182. Phthalylsulfathiazole, European Pharmacopoeia (ep) Reference Standard

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₃N₃O₅S₂
Molecular Weight	403.4 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	403.02966287 g/mol
Monoisotopic Mass	403.02966287 g/mol
Topological Polar Surface Area	162 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	643
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