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Substance Name: Disodium 1-amino-4-((2-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-4-methyl-5-sulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
RN: 84100-75-4
InChIKey: GUVLYNFQTSNHHF-UHFFFAOYSA-L

Molecular Formula

  • C26-H18-Cl-F2-N5-O8-S2.2Na

Molecular Weight

  • 710.0004
 
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Names and Synonyms

Synonym

  • EINECS 282-155-6

Systematic Name

  • Disodium 1-amino-4-((2-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-4-methyl-5-sulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 84100-75-4

System Generated Number

  • 0084100754

Molecular Formulas

Molecular Formula

  • C26-H18-Cl-F2-N5-O8-S2.2Na

Molecular Formula Fragments

  • C26-H18-Cl-F2-N5-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H18ClF2N5O8S2.2Na/c1-10-6-11(9-31-25-20(27)24(28)33-26(29)34-25)14(7-16(10)43(37,38)39)32-15-8-17(44(40,41)42)21(30)19-18(15)22(35)12-4-2-3-5-13(12)23(19)36;;/h2-8,32H,9,30H2,1H3,(H,31,33,34)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

InChIKey

GUVLYNFQTSNHHF-UHFFFAOYSA-L

Smiles

Cc1cc(c(cc1S(=O)(=O)[O-])Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)[O-])CNc5c(c(nc(n5)F)F)Cl.[Na+].[Na+]