5-[(5-Chloro-2-Fluoro-6-Methyl-4-Pyrimidinyl)Amino]-4-Hydroxy-3-[(4-Methyl-2-Sulphophenyl)Azo]Naphthalene-2,7-Disulphonic Acid, Sodium Salt
[CAS# 83400-18-4]

Identification

• Name: 5-[(5-Chloro-2-Fluoro-6-Methyl-4-Pyrimidinyl)Amino]-4-Hydroxy-3-[(4-Methyl-2-Sulphophenyl)Azo]Naphthalene-2,7-Disulphonic Acid, Sodium Salt
• Synonyms: Trisodium (3Z)-5-[(5-Chloro-2-Fluoro-6-Methyl-Pyrimidin-4-Yl)Amino]-3-[(4-Methyl-2-Sulfonato-Phenyl)Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonate; Trisodium (3Z)-5-[(5-Chloro-2-Fluoro-6-Methyl-4-Pyrimidinyl)Amino]-3-[(4-Methyl-2-Sulfonatophenyl)Hydrazono]-4-Oxonaphthalene-2,7-Disulfonate; Trisodium (3Z)-5-[(5-Chloro-2-Fluoro-6-Methyl-Pyrimidin-4-Yl)Amino]-4-Keto-3-[(4-Methyl-2-Sulfonato-Phenyl)Hydrazono]Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₂H₁₄ClFN₅Na₃O₁₀S₃
• Molecular Weight: 727.98
• CAS Registry Number: 83400-18-4
• EINECS: 280-434-7
• SMILES: C2=C([S]([O-])(=O)=O)C=C(NC1=NC(=NC(=C1Cl)C)F)C4=C2C=C([S]([O-])(=O)=O)\C(=N/NC3=C([S]([O-])(=O)=O)C=C(C=C3)C)C4=O.[Na+].[Na+].[Na+]
• InChI: 1S/C22H17ClFN5O10S3.3Na/c1-9-3-4-13(15(5-9)41(34,35)36)28-29-19-16(42(37,38)39)7-11-6-12(40(31,32)33)8-14(17(11)20(19)30)26-21-18(23)10(2)25-22(24)27-21;;;/h3-8,28H,1-2H3,(H,25,26,27)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3/b29-19+
• InChIKey: DMBFXUKLFMINMT-MZJSKYFYSA-K