Disodium 1-Amino-4-[[3-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]-2-Methyl-5-Sulfonatophenyl]Amino]-9,10-Dioxoanthracene-2-Sulfonate
[CAS 72139-17-4]

Identification

• Name: Disodium 1-Amino-4-[[3-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]-2-Methyl-5-Sulfonatophenyl]Amino]-9,10-Dioxoanthracene-2-Sulfonate
• Synonyms: Disodium 1-Amino-4-[[3-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-2-Methyl-5-Sulfonato-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Disodium 1-Amino-4-[[3-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-2-Methyl-5-Sulfonatophenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonate; Disodium 1-Amino-4-[[3-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-2-Methyl-5-Sulfonato-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₂₅H₁₄ClF₂N₅Na₂O₈S₂
• Molecular Weight: 695.96
• CAS Registry Number: 72139-17-4
• EINECS: 276-374-6
• SMILES: C1=C([S]([O-])(=O)=O)C(=C4C(=C1NC2=CC(=CC(=C2C)NC3=NC(=NC(=C3Cl)F)F)[S]([O-])(=O)=O)C(=O)C5=C(C4=O)C=CC=C5)N.[Na+].[Na+]
• InChI: 1S/C25H16ClF2N5O8S2.2Na/c1-9-13(6-10(42(36,37)38)7-14(9)31-24-19(26)23(27)32-25(28)33-24)30-15-8-16(43(39,40)41)20(29)18-17(15)21(34)11-4-2-3-5-12(11)22(18)35;;/h2-8,30H,29H2,1H3,(H,31,32,33)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2
• InChIKey: ZNJIJUTZYLARBY-UHFFFAOYSA-L