1-Amino-4-[[2-[[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]Methyl]-4-Methyl-5-Sulfophenyl]Amino]-9,10-Dihydro-9,10-Dioxo-2-Anthracenesulfonicacid Sodium Salt (1:2)
[CAS# 84100-75-4]

Identification

• Name: 1-Amino-4-[[2-[[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]Methyl]-4-Methyl-5-Sulfophenyl]Amino]-9,10-Dihydro-9,10-Dioxo-2-Anthracenesulfonicacid Sodium Salt (1:2)
• Synonyms: Disodium 1-Amino-4-[[2-[[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]Methyl]-4-Methyl-5-Sulfonato-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Disodium 1-Amino-4-[[2-[[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]Methyl]-4-Methyl-5-Sulfonatophenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonate; Disodium 1-Amino-4-[[2-[[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]Methyl]-4-Methyl-5-Sulfonato-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₂₆H₁₆ClF₂N₅Na₂O₈S₂
• Molecular Weight: 709.99
• CAS Registry Number: 84100-75-4
• EINECS: 282-155-6
• SMILES: C3=C(NC1=C(C=C(C(=C1)[S]([O-])(=O)=O)C)CNC2=NC(=NC(=C2Cl)F)F)C4=C(C(=C3[S]([O-])(=O)=O)N)C(=O)C5=C(C4=O)C=CC=C5.[Na+].[Na+]
• InChI: 1S/C26H18ClF2N5O8S2.2Na/c1-10-6-11(9-31-25-20(27)24(28)33-26(29)34-25)14(7-16(10)43(37,38)39)32-15-8-17(44(40,41)42)21(30)19-18(15)22(35)12-4-2-3-5-13(12)23(19)36;;/h2-8,32H,9,30H2,1H3,(H,31,33,34)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2
• InChIKey: GUVLYNFQTSNHHF-UHFFFAOYSA-L