Trisodium (3Z)-5-[(5-Chloro-2-Fluoro-6-Methylpyrimidin-4-Yl)Amino]-4-Oxo-3-[(1-Sulfonatonaphthalen-2-Yl)Hydrazinylidene]Naphthalene-2,7-Disulfonate
[CAS# 75198-90-2]

Identification

• Name: Trisodium (3Z)-5-[(5-Chloro-2-Fluoro-6-Methylpyrimidin-4-Yl)Amino]-4-Oxo-3-[(1-Sulfonatonaphthalen-2-Yl)Hydrazinylidene]Naphthalene-2,7-Disulfonate
• Synonyms: Trisodium (3Z)-5-[(5-Chloro-2-Fluoro-6-Methyl-Pyrimidin-4-Yl)Amino]-4-Oxo-3-[(1-Sulfonato-2-Naphthyl)Hydrazono]Naphthalene-2,7-Disulfonate; Trisodium (3Z)-5-[(5-Chloro-2-Fluoro-6-Methyl-4-Pyrimidinyl)Amino]-4-Oxo-3-[(1-Sulfonato-2-Naphthyl)Hydrazono]Naphthalene-2,7-Disulfonate; Trisodium (3Z)-5-[(5-Chloro-2-Fluoro-6-Methyl-Pyrimidin-4-Yl)Amino]-4-Keto-3-[(1-Sulfonato-2-Naphthyl)Hydrazono]Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₅H₁₄ClFN₅Na₃O₁₀S₃
• Molecular Weight: 764.01
• CAS Registry Number: 75198-90-2
• SMILES: C2=C([S]([O-])(=O)=O)C=C(NC1=NC(=NC(=C1Cl)C)F)C5=C2C=C([S]([O-])(=O)=O)\C(=N/NC4=C([S]([O-])(=O)=O)C3=CC=CC=C3C=C4)C5=O.[Na+].[Na+].[Na+]
• InChI: 1S/C25H17ClFN5O10S3.3Na/c1-11-20(26)24(30-25(27)28-11)29-17-10-14(43(34,35)36)8-13-9-18(44(37,38)39)21(22(33)19(13)17)32-31-16-7-6-12-4-2-3-5-15(12)23(16)45(40,41)42;;;/h2-10,31H,1H3,(H,28,29,30)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b32-21+
• InChIKey: ZLDCMPONQDXZEZ-FXUDISSTSA-K