Trisodium (3Z)-5-Amino-3-[[5-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]-2-Sulfonatophenyl]Hydrazinylidene]-4-Oxo-6-(4-Sulfamoylphenyl)Diazenylnaphthalene-2,7-Disulfonate
[CAS# 75199-18-7]

Identification

• Name: Trisodium (3Z)-5-Amino-3-[[5-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]-2-Sulfonatophenyl]Hydrazinylidene]-4-Oxo-6-(4-Sulfamoylphenyl)Diazenylnaphthalene-2,7-Disulfonate
• Synonyms: Trisodium (3Z)-5-Amino-3-[[5-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-2-Sulfonato-Phenyl]Hydrazono]-4-Oxo-6-(4-Sulfamoylphenyl)Azo-Naphthalene-2,7-Disulfonate; Trisodium (3Z)-5-Amino-3-[[5-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-2-Sulfonatophenyl]Hydrazono]-4-Oxo-6-(4-Sulfamoylphenyl)Azonaphthalene-2,7-Disulfonate; Trisodium (3Z)-5-Amino-3-[[5-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-2-Sulfonato-Phenyl]Hydrazono]-4-Keto-6-(4-Sulfamoylphenyl)Azo-Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₆H₁₅ClF₂N₉Na₃O₁₂S₄
• Molecular Weight: 916.12
• CAS Registry Number: 75199-18-7
• EINECS: 278-117-3
• SMILES: C1=C5C(=C(N)C(=C1[S]([O-])(=O)=O)N=NC2=CC=C([S](=O)(=O)N)C=C2)C(=O)C(=N/NC3=C([S]([O-])(=O)=O)C=CC(=C3)NC4=C(Cl)C(=NC(=N4)F)F)/C(=C5)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C26H18ClF2N9O12S4.3Na/c27-19-24(28)33-26(29)34-25(19)32-12-3-6-15(52(42,43)44)14(9-12)36-38-22-17(54(48,49)50)8-10-7-16(53(45,46)47)21(20(30)18(10)23(22)39)37-35-11-1-4-13(5-2-11)51(31,40)41;;;/h1-9,36H,30H2,(H2,31,40,41)(H,32,33,34)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3/b37-35?,38-22+
• InChIKey: RWKOWSQMQXINCI-SPRWDEDNSA-K