Disodium 1-Amino-4-[[3-[[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Methylamino]Methyl]-4-Methoxysulphonatophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
[CAS# 72243-89-1]

Identification

• Name: Disodium 1-Amino-4-[[3-[[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Methylamino]Methyl]-4-Methoxysulphonatophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
• Synonyms: Disodium 1-Amino-4-[[3-[[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)-Methyl-Amino]Methyl]-4-Methoxy-2-Sulfonato-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Disodium 1-Amino-4-[[3-[[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)-Methylamino]Methyl]-4-Methoxy-2-Sulfonatophenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonate; Disodium 1-Amino-4-[[3-[[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)-Methyl-Amino]Methyl]-4-Methoxy-2-Sulfonato-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₂₇H₁₈ClF₂N₅Na₂O₉S₂
• Molecular Weight: 740.02
• CAS Registry Number: 72243-89-1
• EINECS: 276-515-1
• SMILES: C1=C([S]([O-])(=O)=O)C(=C4C(=C1NC2=CC=C(OC)C(=C2[S]([O-])(=O)=O)CN(C3=NC(=NC(=C3Cl)F)F)C)C(=O)C5=C(C4=O)C=CC=C5)N.[Na+].[Na+]
• InChI: 1S/C27H20ClF2N5O9S2.2Na/c1-35(26-20(28)25(29)33-27(30)34-26)10-13-16(44-2)8-7-14(24(13)46(41,42)43)32-15-9-17(45(38,39)40)21(31)19-18(15)22(36)11-5-3-4-6-12(11)23(19)37;;/h3-9,32H,10,31H2,1-2H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2
• InChIKey: FSVQGFGIZGYRLT-UHFFFAOYSA-L