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Substance Name: 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
RN: 72659-71-3
InChIKey: ZAQURDKDSUNZIC-UHFFFAOYSA-L

Molecular Formula

  • C28-H22-Cl-F2-N5-O8-S2.2Na

Molecular Weight

  • 738.054
 
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Names and Synonyms

Synonym

  • 1-Amino-4-((2,6-dimethyl-3-(((2,4-difluoro-5-chloro-6-pyrimidinyl)methylamino)methyl)sulfophenyl)amino)-2-sulfoanthraquinone, disodium salt

Systematic Names

  • 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt
  • 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)

Registry Numbers

CAS Registry Number

  • 72659-71-3

System Generated Number

  • 0072659713

Molecular Formulas

Molecular Formula

  • C28-H22-Cl-F2-N5-O8-S2.2Na

Molecular Formula Fragments

  • C28-H22-Cl-F2-N5-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H22ClF2N5O8S2.2Na/c1-11-8-17(45(39,40)41)15(10-36(3)27-21(29)26(30)34-28(31)35-27)12(2)23(11)33-16-9-18(46(42,43)44)22(32)20-19(16)24(37)13-6-4-5-7-14(13)25(20)38;;/h4-9,33H,10,32H2,1-3H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

InChIKey

ZAQURDKDSUNZIC-UHFFFAOYSA-L

Smiles

Cc1cc(c(c(c1Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)[O-])C)CN(C)c5c(c(nc(n5)F)F)Cl)S(=O)(=O)[O-].[Na+].[Na+]