Tetrasodium 7-[4-Amino-2-[(5-Chloro-2-Fluoro-6-Methylpyrimidin-4-Yl)Amino]-5-Sulfonatophenyl]Diazenylnaphthalene-1,3,5-Trisulfonate
[CAS# 75198-88-8]

Identification

• Name: Tetrasodium 7-[4-Amino-2-[(5-Chloro-2-Fluoro-6-Methylpyrimidin-4-Yl)Amino]-5-Sulfonatophenyl]Diazenylnaphthalene-1,3,5-Trisulfonate
• Synonyms: Tetrasodium 7-[4-Amino-2-[(5-Chloro-2-Fluoro-6-Methyl-Pyrimidin-4-Yl)Amino]-5-Sulfonato-Phenyl]Azonaphthalene-1,3,5-Trisulfonate; Tetrasodium 7-[4-Amino-2-[(5-Chloro-2-Fluoro-6-Methyl-4-Pyrimidinyl)Amino]-5-Sulfonatophenyl]Azonaphthalene-1,3,5-Trisulfonate; Tetrasodium 7-[4-Amino-2-[(5-Chloro-2-Fluoro-6-Methyl-Pyrimidin-4-Yl)Amino]-5-Sulfonato-Phenyl]Diazenylnaphthalene-1,3,5-Trisulfonate
• Molecular Formula: C₂₁H₁₂ClFN₆Na₄O₁₂S₄
• Molecular Weight: 815.01
• CAS Registry Number: 75198-88-8
• SMILES: C1=C4C(=C([S]([O-])(=O)=O)C=C1[S]([O-])(=O)=O)C=C(N=NC2=CC(=C(N)C=C2NC3=NC(=NC(=C3Cl)C)F)[S]([O-])(=O)=O)C=C4[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C21H16ClFN6O12S4.4Na/c1-8-19(22)20(27-21(23)25-8)26-14-6-13(24)18(45(39,40)41)7-15(14)29-28-9-2-11-12(16(3-9)43(33,34)35)4-10(42(30,31)32)5-17(11)44(36,37)38;;;;/h2-7H,24H2,1H3,(H,25,26,27)(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41);;;;/q;4*+1/p-4
• InChIKey: PHRNTSBRTBLANR-UHFFFAOYSA-J