7-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-4-Hydroxy-3-[(4-Methoxy-2-Sulphophenyl)Azo]Naphthalene-2-Sulphonic Acid, Sodium Salt
[CAS# 85391-83-9]

Identification

• Name: 7-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-4-Hydroxy-3-[(4-Methoxy-2-Sulphophenyl)Azo]Naphthalene-2-Sulphonic Acid, Sodium Salt
• Synonyms: Disodium (3E)-7-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-3-[(4-Methoxy-2-Sulfonato-Phenyl)Hydrazono]-4-Oxo-Naphthalene-2-Sulfonate; Disodium (3E)-7-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-3-[(4-Methoxy-2-Sulfonatophenyl)Hydrazono]-4-Oxo-2-Naphthalenesulfonate; Disodium (3E)-7-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-4-Keto-3-[(4-Methoxy-2-Sulfonato-Phenyl)Hydrazono]Naphthalene-2-Sulfonate
• Molecular Formula: C₂₁H₁₂ClF₂N₅Na₂O₈S₂
• Molecular Weight: 645.90
• CAS Registry Number: 85391-83-9 (68959-17-1)
• EINECS: 286-839-5
• SMILES: C2=C(NC1=C(Cl)C(=NC(=N1)F)F)C=CC4=C2C=C([S]([O-])(=O)=O)/C(=N/NC3=C([S]([O-])(=O)=O)C=C(OC)C=C3)C4=O.[Na+].[Na+]
• InChI: 1S/C21H14ClF2N5O8S2.2Na/c1-37-11-3-5-13(14(8-11)38(31,32)33)28-29-17-15(39(34,35)36)7-9-6-10(2-4-12(9)18(17)30)25-20-16(22)19(23)26-21(24)27-20;;/h2-8,28H,1H3,(H,25,26,27)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/b29-17-
• InChIKey: QFKARGTXAOBDSD-ULBWHOMYSA-L