Prestwick3_000702

Synopsis, Chemistry

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Also known as: 116-43-8, Colistatin, Cremosuxidine, Sulfasuxidine, Sulfadigesin, Sulfasuccidine

Molecular Formula

C₁₃H₁₃N₃O₅S₂

Molecular Weight

355.4 g/mol

InChI Key

SKVLYVHULOWXTD-UHFFFAOYSA-N

FDA UNII

RSS8647O4S

1 2D Structure

Prestwick3_000702

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid

2.1.2 InChI

InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)

2.1.3 InChI Key

SKVLYVHULOWXTD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2

2.2 Other Identifiers

2.2.1 UNII

RSS8647O4S

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4'-(2-thiazolylsulfamoyl)succinanilic Acid

2. Succinylsulfathiazole Monohydrate

3. Sulfasuccithiazole

2.3.2 Depositor-Supplied Synonyms

1. 116-43-8

2. Colistatin

3. Cremosuxidine

4. Sulfasuxidine

5. Sulfadigesin

6. Sulfasuccidine

7. Succinylsulphathiazole

8. Sulfasuccinil

9. Kaoxidin

10. Kaoxidine

11. Sulfasuccithiazole

12. Sulfasuccidin

13. Sulfenterone

14. Thiacyl

15. 4'-(2-thiazolylsulfamoyl)succinanilic Acid

16. Rolsul

17. Butanoic Acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]-

18. Succinyl Sulfathiazole

19. P-2-thiazolylsulfamylsuccinanilic Acid

20. 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic Acid

21. Nsc 14193

22. Nsc 163939

23. Succinylsulfathiazole [inn]

24. Anhydrous Succinylsulfathiazole

25. 2-(n(sup4)-succinylsulfanilamido)thiazole

26. Chebi:9309

27. Rss8647o4s

28. Succinanilic Acid, 4'-(2-thiazolylsulfamoyl)-

29. Nsc14193

30. Nsc-14193

31. Nsc163939

32. Succinylsulfathiazol

33. Nsc-163939

34. 4-oxo-4-[4-(thiazol-2-ylsulfamoyl)anilino]butanoic Acid

35. Ncgc00016367-01

36. Cas-116-43-8

37. 4-oxo-4-((4-(n-(thiazol-2-yl)sulfamoyl)phenyl)amino)butanoic Acid

38. Succinilsulfatiazol

39. Succinylsulfathiazole (inn)

40. Dsstox_cid_25281

41. Dsstox_rid_80782

42. Dsstox_gsid_45281

43. Succinilsolfatiazolo

44. 4'-(1,3-thiazol-2-ylsulphamoyl)succinanilic Acid

45. Succinylsulfathiazolum

46. Butanoic Acid, 4-oxo-4-((4-((2-thiazolylamino)sulfonyl)phenyl)amino)-

47. N4-succinyl-n-(2-thiazolyl)sulfanilamide

48. Sr-01000000176

49. 4-(succinylamino)-n-(2-thiazolyl)benzenesulfonamide

50. Succinilsolfatiazolo [dcit]

51. Unii-rss8647o4s

52. Succinilsulfatiazol [inn-spanish]

53. Succinylsulfathiazol [inn-french]

54. Succinylsulfathiazolum [inn-latin]

55. Einecs 204-141-0

56. 2-(n4-succinylsulfanilamido)thiazole

57. Mfcd00022437

58. Prestwick_1016

59. Succinylsulfathiazole [usp:inn:ban]

60. Guanicar

61. N-succinylsulfathiazole

62. Brn 0349989

63. Spectrum_001389

64. Ai3-26816

65. Maybridge1_006038

66. Prestwick0_000702

67. Prestwick1_000702

68. Prestwick2_000702

69. Prestwick3_000702

70. Spectrum2_001946

71. Spectrum3_001488

72. Spectrum4_000045

73. Tharap Cat: Antimicrobial

74. Oprea1_335927

75. Regid_for_cid_5315

76. Bspbio_000883

77. Bspbio_003075

78. Kbiogr_000509

79. Kbioss_001869

80. 4-27-00-04637 (beilstein Handbook Reference)

81. Mls000069715

82. Divk1c_001028

83. Schembl151873

84. Spectrum1502025

85. Spbio_002011

86. Spbio_002804

87. Succinylsulfathiazole, >=98%

88. Bpbio1_000973

89. Chembl1484857

90. Dtxsid7045281

91. Hms503m17

92. Hms558k10

93. Kbio1_001028

94. Kbio2_001869

95. Kbio2_004437

96. Kbio2_007005

97. Kbio3_002575

98. Succinylsulfathiazole Plymorph Ii

99. Ccg-439

100. Succinylsulfathiazole [mi]

101. Ninds_001028

102. Hms1570m05

103. Hms1921f06

104. Hms2092n21

105. Hms2097m05

106. Hms2230p18

107. Hms3373o12

108. Hms3714m05

109. Pharmakon1600-01502025

110. Albb-036209

111. Hy-b0921

112. Zinc1532343

113. Tox21_110400

114. 4-oxo-4-((4-((2-thiazolylamino)sulfonyl)phenyl)amino)butanoic Acid

115. 4-oxo-4-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino}butanoic Acid

116. Nsc758161

117. S4585

118. Stk079059

119. Succinylsulfathiazole [mart.]

120. Succinylsulfathiazole, ~95% (tlc)

121. Succinylsulfathiazole [who-dd]

122. Akos002161889

123. Tox21_110400_1

124. Db13580

125. Nsc-758161

126. P-2-thiazolylsulfamoylsuccinanilic Acid

127. Idi1_001028

128. Ncgc00016367-02

129. Ncgc00016367-03

130. Ncgc00016367-04

131. Ncgc00016367-05

132. Ncgc00016367-06

133. Ncgc00016367-08

134. Ncgc00022723-03

135. Ncgc00022723-04

136. As-15960

137. Smr000058172

138. Sbi-0051704.p002

139. Succinylsulfathiazole [ep Impurity]

140. Db-041316

141. 4\'-(2-thiazolylsulfamoyl)succinanilic Acid

142. Ab00052259

143. Eu-0083314

144. Ft-0631665

145. S0581

146. S0991

147. C71535

148. D07060

149. Ab00052259_13

150. 116s438

151. A927102

152. J-003439

153. Q3976577

154. Sr-01000000176-2

155. Sr-01000000176-3

156. Sr-01000000176-4

157. Brd-k01950558-001-05-5

158. Brd-k01950558-001-09-7

159. F0856-0033

160. 4-oxo-4-(4-(n-thiazol-2-ylsulfamoyl)phenylamino)butanoic Acid

161. 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amio]-butanoic Acid

162. 4-oxo-4-(4-[(1,3-thiazol-2-ylamino)sulfonyl]anilino)butanoic Acid #

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₃N₃O₅S₂
Molecular Weight	355.4 g/mol
XLogP3	-0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	355.02966287 g/mol
Monoisotopic Mass	355.02966287 g/mol
Topological Polar Surface Area	162 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	526
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