Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-(Acetylamino)-6-((5-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-2-sulphophenyl)azo)-5-hydroxynaphthalene-1,7-disulphonic acid, sodium salt
RN: 83399-77-3
InChIKey: LJTULLXDNCVNTA-YIWBEPSUSA-K

Molecular Formula

  • C24-H19-Cl-F2-N6-O11-S3.x-Na

Molecular Weight

  • 803.0384
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 280-390-9

Systematic Name

  • 4-(Acetylamino)-6-((5-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-2-sulphophenyl)azo)-5-hydroxynaphthalene-1,7-disulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 83399-77-3

System Generated Number

  • 0083399773

Molecular Formulas

Molecular Formula

  • C24-H19-Cl-F2-N6-O11-S3.x-Na

Molecular Formula Fragments

  • C24-H19-Cl-F2-N6-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H19ClF2N6O11S3.3Na/c1-10(34)28-13-4-6-15(45(36,37)38)12-8-17(47(42,43)44)20(21(35)18(12)13)32-31-14-7-11(3-5-16(14)46(39,40)41)9-33(2)23-19(25)22(26)29-24(27)30-23;;;/h3-8,35H,9H2,1-2H3,(H,28,34)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;/q;3*+1/p-3/b32-31+;;;

InChIKey

LJTULLXDNCVNTA-YIWBEPSUSA-K

Smiles

CC(=O)Nc1ccc(c2c1c(c(c(c2)S(=O)(=O)[O-])/N=N/c3cc(ccc3S(=O)(=O)[O-])CN(C)c4c(c(nc(n4)F)F)Cl)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]