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Substance Name: 2-Anthracenesulfonic acid, 1-amino-4-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-methyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
RN: 72139-17-4
InChIKey: ZNJIJUTZYLARBY-UHFFFAOYSA-L

Molecular Formula

  • C25-H16-Cl-F2-N5-O8-S2.2Na

Molecular Weight

  • 695.974
 
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Names and Synonyms

Synonyms

  • 1-Amino-4-((3-((5-chloro-2,4-difluoro-6-pyrimidyl)amino)-2-methyl-5-sulfophenyl)amino)-2-sulfoanthraquinone, disodium salt
  • EINECS 276-374-6

Systematic Names

  • 2-Anthracenesulfonic acid, 1-amino-4-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-methyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt
  • 2-Anthracenesulfonic acid, 1-amino-4-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-methyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
  • Disodium 1-amino-4-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-methyl-5-sulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 72139-17-4

Other Registry Numbers

  • 72659-68-8
  • 857440-85-8

System Generated Number

  • 0072139174

Molecular Formulas

Molecular Formula

  • C25-H16-Cl-F2-N5-O8-S2.2Na

Molecular Formula Fragments

  • C25-H16-Cl-F2-N5-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

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

Smiles

[Na+].[Na+].c1(c(cc(c2C(c3ccccc3C(c12)=O)=O)Nc1c(c(cc(c1)S(=O)(=O)[O-])Nc1nc(nc(c1Cl)F)F)C)S(=O)(=O)[O-])N