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Substance Name: 2-Anthracenesulfonic acid, 1-amino-4-((2-(((5-chloro-6-fluoro-4-pyrimidinyl)amino)methyl)-4-methyl-6-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
RN: 149530-93-8
InChIKey: HYRPHYNOGYXYQB-UHFFFAOYSA-L

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C26-H19-Cl-F-N5-O8-S2.2Na

Molecular Weight

  • 692.0103
 
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Names and Synonyms

Synonym

  • EC 414-040-5

Systematic Names

  • 2-Anthracenesulfonic acid, 1-amino-4-((2-(((5-chloro-6-fluoro-4-pyrimidinyl)amino)methyl)-4-methyl-6-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt
  • 2-Anthracenesulfonic acid, 1-amino-4-((2-(((5-chloro-6-fluoro-4-pyrimidinyl)amino)methyl)-4-methyl-6-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
  • Disodium 1-amino-4-(2-(5-chloro-6-fluoro-pyrimidin-4-ylamino-methyl)-4-methyl-6-sulfo-phenylamino)-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonate

Registry Numbers

CAS Registry Number

  • 149530-93-8

System Generated Number

  • 0149530938

Molecular Formulas

Molecular Formula

  • C26-H19-Cl-F-N5-O8-S2.2Na

Molecular Formula Fragments

  • C26-H19-Cl-F-N5-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H19ClFN5O8S2.2Na/c1-11-6-12(9-30-26-20(27)25(28)31-10-32-26)22(17(7-11)43(39,40)41)33-15-8-16(42(36,37)38)21(29)19-18(15)23(34)13-4-2-3-5-14(13)24(19)35;;/h2-8,10,33H,9,29H2,1H3,(H,30,31,32)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2

InChIKey

HYRPHYNOGYXYQB-UHFFFAOYSA-L