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Substance Name: Disodium 2-((5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-4-((4-chloro-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)benzenesulphonate
RN: 84000-63-5
InChIKey: JQVMYBSCZRPGFN-KGNAMTJXSA-L

Molecular Formula

  • C26-H26-Cl-N9-O12-S3.2Na

Molecular Weight

  • 832.1576
 
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Names and Synonyms

Synonym

  • EINECS 281-619-5

Systematic Name

  • Disodium 2-((5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-4-((4-chloro-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 84000-63-5

System Generated Number

  • 0084000635

Molecular Formulas

Molecular Formula

  • C26-H26-Cl-N9-O12-S3.2Na

Molecular Formula Fragments

  • C26-H26-Cl-N9-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H26ClN9O12S3.2Na/c1-3-36-22(38)19(21(28)37)13(2)20(23(36)39)35-34-17-12-15(7-8-18(17)50(42,43)44)30-26-32-24(27)31-25(33-26)29-14-5-4-6-16(11-14)49(40,41)10-9-48-51(45,46)47;;/h4-8,11-12,39H,3,9-10H2,1-2H3,(H2,28,37)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33);;/q;2*+1/p-2/b35-34+;;

InChIKey

JQVMYBSCZRPGFN-KGNAMTJXSA-L

Smiles

CCn1c(c(c(c(c1=O)C(=O)N)C)/N=N/c2cc(ccc2S(=O)(=O)[O-])Nc3nc(nc(n3)Cl)Nc4cccc(c4)S(=O)(=O)CCOS(=O)(=O)[O-])O.[Na+].[Na+]