Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2H-Naphtho(1,2-d)triazole-5,9-disulfonic acid, 7-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-(4-(2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl)-3-sulfophenyl)-, sodium salt (1:3)
RN: 68957-39-1
InChIKey: APTYIBHTLARFEV-RCWDREBLSA-K

Molecular Formula

  • C24-H13-Cl-F2-N10-O12-S3.3Na

Molecular Weight

  • 869.018
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 273-336-0

Systematic Names

  • 2H-Naphtho(1,2-d)triazole-5,9-disulfonic acid, 7-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-(4-((hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo)-3-sulfophenyl)-, trisodium salt
  • 2H-Naphtho(1,2-d)triazole-5,9-disulfonic acid, 7-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-(4-(2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl)-3-sulfophenyl)-, sodium salt (1:3)
  • Trisodium 7-((5-chloro-2,6-difluoropyrimidin-4-yl)amino)-2-(4-((hexahydro-2,4,6-trioxopyrimidin-5-yl)azo)-3-sulphonatophenyl)-2H-naphtho(1,2-d)triazole-5,9-disulphonate

Registry Numbers

CAS Registry Number

  • 68957-39-1

System Generated Number

  • 0068957391

Molecular Formulas

Molecular Formula

  • C24-H13-Cl-F2-N10-O12-S3.3Na

Molecular Formula Fragments

  • C24-H13-Cl-F2-N10-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H13ClF2N10O12S3.3Na/c25-16-19(26)29-23(27)30-20(16)28-7-3-9-12(50(41,42)43)6-11-17(15(9)14(4-7)52(47,48)49)36-37(35-11)8-1-2-10(13(5-8)51(44,45)46)33-34-18-21(38)31-24(40)32-22(18)39;;;/h1-6,18H,(H,28,29,30)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,31,32,38,39,40);;;/q;3*+1/p-3/b34-33+;;;

InChIKey

APTYIBHTLARFEV-RCWDREBLSA-K

Smiles

[Na+].[Na+].[Na+].n1n(nc2c1cc(c1cc(cc(c21)S(=O)(=O)[O-])Nc1nc(nc(c1Cl)F)F)S(=O)(=O)[O-])c1cc(c(cc1)\N=N\C1C(NC(NC1=O)=O)=O)S(=O)(=O)[O-]