Tripotassium 4-[(4-Amino-9,10-Dioxo-3-Sulfonatoanthracen-1-Yl)Amino]-6-[(5-Chloro-6-Methyl-2-Methylsulfonylpyrimidin-4-Yl)Amino]Benzene-1,3-Disulfonate
[CAS# 72639-33-9]

Identification

• Name: Tripotassium 4-[(4-Amino-9,10-Dioxo-3-Sulfonatoanthracen-1-Yl)Amino]-6-[(5-Chloro-6-Methyl-2-Methylsulfonylpyrimidin-4-Yl)Amino]Benzene-1,3-Disulfonate
• Synonyms: Tripotassium 4-[(4-Amino-9,10-Dioxo-3-Sulfonato-1-Anthryl)Amino]-6-[(5-Chloro-6-Methyl-2-Methylsulfonyl-Pyrimidin-4-Yl)Amino]Benzene-1,3-Disulfonate; Tripotassium 4-[(4-Amino-9,10-Dioxo-3-Sulfonato-1-Anthryl)Amino]-6-[(5-Chloro-6-Methyl-2-Methylsulfonyl-4-Pyrimidinyl)Amino]Benzene-1,3-Disulfonate; Tripotassium 4-[(4-Amino-9,10-Diketo-3-Sulfonato-1-Anthryl)Amino]-6-[(5-Chloro-2-Mesyl-6-Methyl-Pyrimidin-4-Yl)Amino]Benzene-1,3-Disulfonate
• Molecular Formula: C₂₆H₁₇ClK₃N₅O₁₃S₄
• Molecular Weight: 888.43
• CAS Registry Number: 72639-33-9
• EINECS: 276-753-6
• SMILES: N5=C(NC1=C([S]([O-])(=O)=O)C=C([S]([O-])(=O)=O)C(=C1)NC2=C3C(=C(N)C(=C2)[S]([O-])(=O)=O)C(=O)C4=C(C3=O)C=CC=C4)C(=C(N=C5[S](=O)(=O)C)C)Cl.[K+].[K+].[K+]
• InChI: 1S/C26H20ClN5O13S4.3K/c1-10-21(27)25(32-26(29-10)46(2,35)36)31-14-7-13(16(47(37,38)39)9-17(14)48(40,41)42)30-15-8-18(49(43,44)45)22(28)20-19(15)23(33)11-5-3-4-6-12(11)24(20)34;;;/h3-9,30H,28H2,1-2H3,(H,29,31,32)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3
• InChIKey: ZPYLDMFMVASTAW-UHFFFAOYSA-K