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Substance Name: 4-Pyridinecarboxylic acid, 3-(2-(4-(7-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-5,9-disulfo-2H-naphtho(1,2-d)triazol-2-yl)-2-sulfophenyl)diazenyl)-1,2-dihydro-6-hydroxy-2-oxo-, sodium salt (1:?)
RN: 83400-20-8
InChIKey: SLIPTFZAFMFHGO-FEISSGSOSA-K

Classification Code

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

Molecular Formula

  • C26-H14-Cl-F2-N9-O13-S3.x-Na

Molecular Weight

  • 896.04
 
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Names and Synonyms

Synonym

  • EINECS 280-436-8

Systematic Names

  • 3-((4-(7-((5-Chloro-2,6-difluoro-4-pyrimidinyl)amino)-5,9-disulpho-2H-naphtho(1,2-d)triazol-2-yl)-2-sulphophenyl)azo)-1,2-dihydro-6-hydroxy-2-oxoisonicotinic acid, sodium salt
  • 4-Pyridinecarboxylic acid, 3-((4-(7-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-5,9-disulfo-2H-naphtho(1,2-d)triazol-2-yl)-2-sulfophenyl)azo)-1,2-dihydro-6-hydroxy-2-oxo-, sodium salt
  • 4-Pyridinecarboxylic acid, 3-(2-(4-(7-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-5,9-disulfo-2H-naphtho(1,2-d)triazol-2-yl)-2-sulfophenyl)diazenyl)-1,2-dihydro-6-hydroxy-2-oxo-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 83400-20-8

System Generated Number

  • 0083400208

Molecular Formulas

Molecular Formula

  • C26-H14-Cl-F2-N9-O13-S3.x-Na

Molecular Formula Fragments

  • C26-H14-Cl-F2-N9-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H14ClF2N9O13S3.3Na/c27-19-22(28)32-26(29)33-23(19)30-8-3-10-14(52(43,44)45)7-13-21(18(10)16(4-8)54(49,50)51)37-38(36-13)9-1-2-12(15(5-9)53(46,47)48)34-35-20-11(25(41)42)6-17(39)31-24(20)40;;;/h1-7H,(H,41,42)(H,30,32,33)(H2,31,39,40)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b35-34+;;;

InChIKey

SLIPTFZAFMFHGO-FEISSGSOSA-K

Smiles

[Na+].[Na+].[Na+].OC(=O)c1c(c([nH]c(c1)O)=O)\N=N\c1c(cc(cc1)n1nc2c(n1)c1c(cc(cc1c(c2)S(=O)(=O)[O-])Nc1nc(nc(c1Cl)F)F)S(=O)(=O)[O-])S(=O)(=O)[O-]