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Substance Name: 4-Pyridinecarboxylic acid, 5-(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-
RN: 89182-94-5
InChIKey: IOZBHRGFEPCNTO-XAHDOWKMSA-N

Classification Code

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

Molecular Formula

  • C26-H14-Cl-F2-N9-O13-S3

Molecular Weight

  • 830.0936
 
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Names and Synonyms

  • 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-
  • 4-Pyridinecarboxylic acid, 5-(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-

Registry Numbers

CAS Registry Number

  • 89182-94-5

System Generated Number

  • 0089182945

Structure Descriptors

InChI

1S/C26H14ClF2N9O13S3/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)/b35-34+

InChIKey

IOZBHRGFEPCNTO-XAHDOWKMSA-N

Smiles

c12c(nn(n1)c1cc(S(=O)(=O)O)c(/N=N/c3c(cc([nH]c3=O)O)C(=O)O)cc1)cc(S(=O)(=O)O)c1c2c(S(=O)(=O)O)cc(Nc2nc(nc(c2Cl)F)F)c1