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Substance Name: 6-Amino-5-((5-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2-sulphonic acid, sodium salt
RN: 83399-76-2
InChIKey: CYXCFGLPDUJJHV-NFOZGECASA-L

Molecular Formula

  • C22-H17-Cl-F2-N6-O7-S2.x-Na

Molecular Weight

  • 658.9565
 
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Names and Synonyms

Synonym

  • EINECS 280-389-3

Systematic Name

  • 6-Amino-5-((5-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2-sulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 83399-76-2

System Generated Number

  • 0083399762

Molecular Formulas

Molecular Formula

  • C22-H17-Cl-F2-N6-O7-S2.x-Na

Molecular Formula Fragments

  • C22-H17-Cl-F2-N6-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C22H17ClF2N6O7S2.2Na/c1-31(21-18(23)20(24)27-22(25)28-21)9-10-2-5-16(40(36,37)38)14(6-10)29-30-19-13(26)4-3-11-7-12(39(33,34)35)8-15(32)17(11)19;;/h2-8,32H,9,26H2,1H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b30-29+;;

InChIKey

CYXCFGLPDUJJHV-NFOZGECASA-L

Smiles

CN(Cc1ccc(c(c1)/N=N/c2c(ccc3c2c(cc(c3)S(=O)(=O)[O-])O)N)S(=O)(=O)[O-])c4c(c(nc(n4)F)F)Cl.[Na+].[Na+]