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Substance Name: Disodium 4,4'-bis((4-anilino-6-((2-carbamoylethyl)(2-hydroxyethyl)amino)-S-triazin-2-yl)amino)-2,2'-stilbenedisulfonate
RN: 27344-06-5
UNII: 30I2S866LK
InChIKey: KXZDXBWYWMOFCR-YHPRVSEPSA-L

Molecular Formula

  • C42-H46-N14-O10-S2.2Na

Molecular Weight

  • 1015.01
 
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Names and Synonyms

Name of Substance

  • Disodium 4,4'-bis((4-anilino-6-((2-carbamoylethyl)(2-hydroxyethyl)amino)-S-triazin-2-yl)amino)-2,2'-stilbenedisulfonate

Synonyms

  • EC 248-420-5
  • EINECS 248-420-5
  • UNII-30I2S866LK

Systematic Names

  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, disodium salt
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2)
  • Disodium 4,4'-bis((4-anilino-6-((2-carbamoylethyl)(2-hydroxyethyl)amino)-1,3,5,-triazin-2-yl)amino)stilbene-2,2'-disulphonate

Registry Numbers

CAS Registry Number

  • 27344-06-5

FDA UNII

  • 30I2S866LK

System Generated Number

  • 0027344065

Molecular Formulas

Molecular Formula

  • C42-H46-N14-O10-S2.2Na

Molecular Formula Fragments

  • C42-H46-N14-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H46N14O10S2.2Na/c43-35(59)17-19-55(21-23-57)41-51-37(45-29-7-3-1-4-8-29)49-39(53-41)47-31-15-13-27(33(25-31)67(61,62)63)11-12-28-14-16-32(26-34(28)68(64,65)66)48-40-50-38(46-30-9-5-2-6-10-30)52-42(54-40)56(22-24-58)20-18-36(44)60;;/h1-16,25-26,57-58H,17-24H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;/q;2*+1/p-2/b12-11+;;

InChIKey

KXZDXBWYWMOFCR-YHPRVSEPSA-L

Smiles

[Na+].[Na+].C(=C\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCC(=O)N)Nc1ccccc1)S(=O)(=O)[O-])\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCC(=O)N)Nc1ccccc1)S(=O)(=O)[O-]