Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,3-Naphthalenedisulfonic acid, 7-(2-(2-(acetylamino)-4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)diazenyl)-, sodium salt (1:2)
RN: 68155-62-4
InChIKey: PJFSGBWVNVLHPM-DGVXSHAUSA-L

Molecular Formula

  • C22-H15-Cl-F2-N6-O7-S2.2Na

Molecular Weight

  • 656.941
 
* 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

Synonyms

  • 7-(((2-Acetylamino)-4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)azo)-1,3-naphthalenedisulfonic acid, disodium salt
  • EINECS 268-974-1

Systematic Names

  • 1,3-Naphthalenedisulfonic acid, 7-((2-(acetylamino)-4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)azo)-, disodium salt
  • 1,3-Naphthalenedisulfonic acid, 7-(2-(2-(acetylamino)-4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)diazenyl)-, sodium salt (1:2)
  • Disodium 7-((2-(acetylamino)-4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)azo)naphthalene-1,3-disulphonate

Registry Numbers

CAS Registry Number

  • 68155-62-4

Other Registry Numbers

  • 223585-67-9
  • 877038-35-2

System Generated Number

  • 0068155624

Molecular Formulas

Molecular Formula

  • C22-H15-Cl-F2-N6-O7-S2.2Na

Molecular Formula Fragments

  • C22-H15-Cl-F2-N6-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C22H15ClF2N6O7S2.2Na/c1-10(32)26-17-8-12(27-21-19(23)20(24)28-22(25)29-21)4-5-16(17)31-30-13-3-2-11-6-14(39(33,34)35)9-18(15(11)7-13)40(36,37)38;;/h2-9H,1H3,(H,26,32)(H,27,28,29)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b31-30+;;

InChIKey

PJFSGBWVNVLHPM-DGVXSHAUSA-L

Smiles

S(c1cc(S(=O)(=O)[O-])cc2c1cc(\N=N\c1c(NC(=O)C)cc(Nc3nc(F)nc(c3Cl)F)cc1)cc2)(=O)(=O)[O-].[Na+].[Na+]