Sodium 4-[[2-[(Aminocarbonyl)Amino]-4-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]Phenyl]Azo]Benzene-1,3-Disulphonate
[CAS 83763-54-6]

Identification

• Name: Sodium 4-[[2-[(Aminocarbonyl)Amino]-4-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]Phenyl]Azo]Benzene-1,3-Disulphonate
• Synonyms: Sodium 4-[4-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-2-Ureido-Phenyl]Azobenzene-1,3-Disulfonate; Sodium 4-[4-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-2-Ureidophenyl]Azobenzene-1,3-Disulfonate; Sodium 4-[2-(Aminocarbonylamino)-4-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]Phenyl]Diazenylbenzene-1,3-Disulfonate
• Molecular Formula: C₁₇H₁₀ClF₂N₇NaO₇S₂
• Molecular Weight: 584.87
• CAS Registry Number: 83763-54-6
• EINECS: 280-741-6
• SMILES: C1=C([S]([O-])(=O)=O)C=CC(=C1[S]([O-])(=O)=O)N=NC3=C(NC(=O)N)C=C(NC2=NC(=NC(=C2Cl)F)F)C=C3.[Na+]
• InChI: 1S/C17H12ClF2N7O7S2.Na/c18-13-14(19)24-16(20)25-15(13)22-7-1-3-9(11(5-7)23-17(21)28)26-27-10-4-2-8(35(29,30)31)6-12(10)36(32,33)34;/h1-6H,(H3,21,23,28)(H,22,24,25)(H,29,30,31)(H,32,33,34);/q;+1/p-2
• InChIKey: OPEWQTRVPKAEJB-UHFFFAOYSA-L