Lithium Sodium 4-[(5-Chloro-6-Fluoro-4-Pyrimidinyl)Amino]-2-{[2-Hydroxy-1,4-Dimethyl-6-Oxo-5-(Sulfonatomethyl)-1,6-Dihydro-3-Pyridinyl]Diazenyl}Benzenesulfonate (1:1:1)
[CAS# 134595-59-8]

Identification

• Name: Lithium Sodium 4-[(5-Chloro-6-Fluoro-4-Pyrimidinyl)Amino]-2-{[2-Hydroxy-1,4-Dimethyl-6-Oxo-5-(Sulfonatomethyl)-1,6-Dihydro-3-Pyridinyl]Diazenyl}Benzenesulfonate (1:1:1)
• Synonyms: 3-Pyridinemethanesulfonic acid, 5-[[5-[(5-chloro-6-fluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-, lithium sodium salt
• Molecular Formula: C₁₈H₁₄ClFLiN₆NaO₈S₂
• Molecular Weight: 590.85
• CAS Registry Number: 134595-59-8
• SMILES: [Li+].Cc1c(c(=O)n(c(c1N=Nc2cc(ccc2S(=O)(=O)[O-])Nc3c(c(ncn3)F)Cl)O)C)CS(=O)(=O)[O-].[Na+]
• InChI: 1S/C18H16ClFN6O8S2.Li.Na/c1-8-10(6-35(29,30)31)17(27)26(2)18(28)14(8)25-24-11-5-9(3-4-12(11)36(32,33)34)23-16-13(19)15(20)21-7-22-16;;/h3-5,7,28H,6H2,1-2H3,(H,21,22,23)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
• InChIKey: XCPVRTDPYGAEOF-UHFFFAOYSA-L

Properties

• Refractive index: (Cal.)