MolPort-001-018-216

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Also known as: Sulphadimethoxine, 122-11-2, Sulfadimethoxin, Sulfadimethoxydiazine, Sulfadimetoxin, Albon

Molecular Formula

C₁₂H₁₄N₄O₄S

Molecular Weight

310.33 g/mol

InChI Key

ZZORFUFYDOWNEF-UHFFFAOYSA-N

FDA UNII

30CPC5LDEX

A sulfanilamide that is used as an anti-infective agent.

1 2D Structure

MolPort-001-018-216

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

2.1.2 InChI

InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)

2.1.3 InChI Key

ZZORFUFYDOWNEF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC

2.2 Other Identifiers

2.2.1 UNII

30CPC5LDEX

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Deposul

2. Sulphadimethoxine

2.3.2 Depositor-Supplied Synonyms

1. Sulphadimethoxine

2. 122-11-2

3. Sulfadimethoxin

4. Sulfadimethoxydiazine

5. Sulfadimetoxin

6. Albon

7. 4-amino-n-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide

8. 4-amino-n-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

9. Dimetazina

10. Sulfadimetoxina

11. Agribon

12. Deposul

13. Madribon

14. Sulfadimethoxinum

15. Arnosulfan

16. Bactrovet

17. Diasulfa

18. Diasulfyl

19. Dimethoxysulfadiazine

20. Madrigid

21. Madriqid

22. Madroxin

23. Madroxine

24. Maxulvet

25. Memcozine

26. Metoxidon

27. Neostrepal

28. Persulfen

29. Roscosulf

30. Scandisil

31. Sulfastop

32. Sulfoplan

33. Theracanzan

34. Dinosol

35. Dorisul

36. Omnibon

37. Radonin

38. Redifal

39. Sudine

40. Sulxin

41. Symbio

42. Abcid

43. Fuxal

44. Sulfadimetossina

45. 2,6-dimethoxy-4-sulfanilamidopyrimidine

46. Benzenesulfonamide, 4-amino-n-(2,6-dimethoxy-4-pyrimidinyl)-

47. 2,4-dimethoxy-6-sulfanilamido-1,3-diazine

48. 6-sulfanilamido-2,4-dimethoxypyrimidine

49. Agribon (tn)

50. Abcid (tn)

51. 2,6-dimethoxy-4-(p-aminobenzenesulfonamido)pyrimidine

52. Nsc 683544

53. Chebi:32161

54. 4-amino-n-(2,6-dimethoxypyrimidin-4-yl)benzene-1-sulfonamide

55. N1-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide

56. 30cpc5ldex

57. Nsc-683544

58. Nsc-757860

59. N(sup 1)-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide

60. Mls000069720

61. N(1)-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide

62. Nsc683544

63. Sulfanilamide, N(sup 1)-(2,6-dimethoxy-4-pyrimidinyl)-

64. Ncgc00016375-01

65. Cas-122-11-2

66. Smr000017367

67. Solfadimetossina

68. Dsstox_cid_3607

69. Dsstox_rid_77105

70. Dsstox_gsid_23607

71. Sulfadimetoxine

72. Neostreptal

73. Sulfadimoxine

74. Suldixine

75. Sulfabon

76. Sulfadimethoxine [jan]

77. Solfadimetossina [dcit]

78. Sulfadimetossina [italian]

79. Sulfadimethoxinum [inn-latin]

80. Sulfadimetoxina [inn-spanish]

81. Sulfamed-g

82. Sr-01000000227

83. Einecs 204-523-7

84. Unii-30cpc5ldex

85. Brn 0306856

86. Ultrasulfon

87. Lasibon

88. Mecozine

89. Sumbio

90. Sdmo

91. Ccris 9326

92. Prestwick_979

93. Mfcd00057345

94. Rofenaid (salt/mix)

95. 4-amino-n-(2,6-dimethoxy-4-pyrimidinyl)benzolsulfonamid

96. Spectrum_001408

97. Sulfadimethoxine [usp:inn:ban:jan:nf]

98. Opera_id_1856

99. Prestwick0_000728

100. Prestwick1_000728

101. Prestwick2_000728

102. Prestwick3_000728

103. Spectrum2_001419

104. Spectrum3_001454

105. Spectrum4_000442

106. Spectrum5_001221

107. Cbkinase1_000256

108. Cbkinase1_012656

109. Epitope Id:122237

110. Cambridge Id 5251398

111. Oprea1_486812

112. Oprea1_495206

113. Schembl93845

114. Sulfadimethoxine (jan/usp)

115. Bspbio_000656

116. Bspbio_002947

117. Kbiogr_000824

118. Kbioss_001888

119. Sulfadimethoxine [mi]

120. 5-25-13-00290 (beilstein Handbook Reference)

121. Mls000103402

122. Mls000104965

123. Mls001148602

124. Chembl62193

125. Divk1c_000088

126. Spectrum1501144

127. Sulfadimethoxine [inn]

128. Spbio_001498

129. Spbio_002595

130. Bpbio1_000722

131. Component Of Prazil (salt/mix)

132. Component Of Primor (salt/mix)

133. Dtxsid1023607

134. Sulfadimethoxine [mart.]

135. Hms500e10

136. Kbio1_000088

137. Kbio2_001888

138. Kbio2_004456

139. Kbio2_007024

140. Kbio3_002447

141. 4-sulfa-2,6-dimethoxypyrimidine

142. Sulfadimethoxine [usp-rs]

143. Sulfadimethoxine [who-dd]

144. Component Of Maxutrim (salt/mix)

145. Component Of Rofenaid (salt/mix)

146. Ninds_000088

147. [(4-aminophenyl)sulfonyl](2,6-dimethoxypyrimidin-4-yl)amine

148. Hms1570a18

149. Hms1921j15

150. Hms2090p11

151. Hms2092f21

152. Hms2097a18

153. Hms2230l05

154. Hms3370k02

155. Hms3655h05

156. Hms3714a18

157. Pharmakon1600-01501144

158. Component Of Trivalbon (salt/mix)

159. Bcp15413

160. Hy-b0337

161. Tox21_110405

162. Bbl023015

163. Ccg-38972

164. Nsc757860

165. S1962

166. Stk018258

167. Sulfadimethoxine [green Book]

168. Zinc13233295

169. Akos000485038

170. Tox21_110405_1

171. Db06150

172. Ks-5335

173. Sulfadimethoxine [usp Impurity]

174. Sulfadimethoxine For Peak Identification

175. 4-sulfanilamido-2,6-dimethoxypyrimidine

176. Idi1_000088

177. Smp2_000079

178. Sulfadimethoxine [usp Monograph]

179. 2,4-dimethoxy-6-sulfanilamidopyrimidine

180. Ncgc00016375-02

181. Ncgc00016375-03

182. Ncgc00016375-04

183. Ncgc00016375-05

184. Ncgc00016375-06

185. Ncgc00016375-09

186. Ncgc00016375-10

187. Ncgc00024020-03

188. Ncgc00024020-04

189. Ac-10998

190. Sbi-0051656.p002

191. Sulfadimethoxine 100 Microg/ml In Methanol

192. 6-sulfanilamido-2,4-dimethoxy-1,3-diazine

193. Ab00052219

194. B3301

195. Ft-0603324

196. Sulfadimethoxine 1000 Microg/ml In Methanol

197. Sw149624-4

198. 2,4-dimethoxy-6-sulfanilamido-1,3-pyrimidine

199. 22s112

200. D01142

201. H10770

202. Sulfadimethoxine 100 Microg/ml In Acetonitrile

203. Ab00052219-15

204. Ab00052219-17

205. Ab00052219_18

206. Ab00052219_19

207. A804847

208. J-004764

209. Q4921678

210. Sr-01000000227-2

211. Sr-01000000227-4

212. Sulfadimethoxine, Vetranal(tm), Analytical Standard

213. Sulfanilamide, N1-(2,6-dimethoxy-4-pyrimidinyl)-

214. 4-(p-aminobenzenesulfonamido)-2,6-dimethoxypyrimidine

215. Brd-k71125014-001-05-7

216. Brd-k71125014-001-07-3

217. Brd-k71125014-001-17-2

218. N(sup1)-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide

219. Sulfadimethoxine, Analytical Standard, >=98.5% (tlc)

220. 4-amino-n-[2,6-bis(methyloxy)pyrimidin-4-yl]benzenesulfonamide

221. Sulfadimethoxine, European Pharmacopoeia (ep) Reference Standard

222. Sulfadimethoxine, United States Pharmacopeia (usp) Reference Standard

223. Sulfadimethoxine For Peak Identification, European Pharmacopoeia (ep) Reference Standard

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₄N₄O₄S
Molecular Weight	310.33 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	310.07357611 g/mol
Monoisotopic Mass	310.07357611 g/mol
Topological Polar Surface Area	125 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	420
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 Drug and Medication Information

4.1 Drug Indication

For use in the treatment of infections.

5 Pharmacology and Biochemistry

5.1 Pharmacology

Sulfadimethoxine has been shown to be effective against streptococci, klebsiella, proteus, shigella, staphylococci, escherichia, and salmonella.

5.2 MeSH Pharmacological Classification

Anti-Infective Agents

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)

5.3 ATC Code

J01ED02

S66 | EAWAGTPS | Parent-Transformation Product Pairs from Eawag | DOI:10.5281/zenodo.3754448

J01ED02

S66 | EAWAGTPS | Parent-Transformation Product Pairs from Eawag | DOI:10.5281/zenodo.3754448

J - Antiinfectives for systemic use

J01 - Antibacterials for systemic use

J01E - Sulfonamides and trimethoprim

J01ED - Long-acting sulfonamides

J01ED01 - Sulfadimethoxine