Trisodium 4-[5-[(5-Chloro-2-Fluoro-6-Methylpyrimidin-4-Yl)Amino]-2-Sulfophenyl]Diazenyl-1-(2,5-Disulfonatophenyl)-5-Oxo-4H-Pyrazole-3-Carboxylate
[CAS# 75198-83-3]

Identification

• Name: Trisodium 4-[5-[(5-Chloro-2-Fluoro-6-Methylpyrimidin-4-Yl)Amino]-2-Sulfophenyl]Diazenyl-1-(2,5-Disulfonatophenyl)-5-Oxo-4H-Pyrazole-3-Carboxylate
• Synonyms: Trisodium 4-[5-[(5-Chloro-2-Fluoro-6-Methyl-Pyrimidin-4-Yl)Amino]-2-Sulfo-Phenyl]Azo-1-(2,5-Disulfonatophenyl)-5-Oxo-4H-Pyrazole-3-Carboxylate; Trisodium 4-[5-[(5-Chloro-2-Fluoro-6-Methyl-4-Pyrimidinyl)Amino]-2-Sulfophenyl]Azo-1-(2,5-Disulfonatophenyl)-5-Oxo-4H-Pyrazole-3-Carboxylate; Trisodium 4-[5-[(5-Chloro-2-Fluoro-6-Methyl-Pyrimidin-4-Yl)Amino]-2-Sulfo-Phenyl]Azo-1-(2,5-Disulfonatophenyl)-5-Keto-4H-Pyrazole-3-Carboxylate
• Molecular Formula: C₂₁H₁₂ClFN₇Na₃O₁₂S₃
• Molecular Weight: 773.97
• CAS Registry Number: 75198-83-3
• SMILES: C4=C(N3N=C(C(N=NC1=CC(=CC=C1[S](=O)(=O)O)NC2=NC(=NC(=C2Cl)C)F)C3=O)C([O-])=O)C(=CC=C4[S]([O-])(=O)=O)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C21H15ClFN7O12S3.3Na/c1-8-15(22)18(26-21(23)24-8)25-9-2-4-13(44(37,38)39)11(6-9)27-28-16-17(20(32)33)29-30(19(16)31)12-7-10(43(34,35)36)3-5-14(12)45(40,41)42;;;/h2-7,16H,1H3,(H,32,33)(H,24,25,26)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3
• InChIKey: ANCGYXQCWJWXIT-UHFFFAOYSA-K