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Substance Name: Tetrasodium 4,4'-bis(4-(4-sulfophenylamino)-6-(bis(2-hydroxypropyl)amino)-s-triazin-2-yl)amino-2,2-stilbenedisulfonate
RN: 67786-25-8
UNII: 1IQ37U7KFJ
InChIKey: NTHKAJBKFNFLHL-WPYDVODASA-J

Molecular Formula

  • C44-H52-N12-O16-S4.4Na

Molecular Weight

  • 1221.16
 
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Names and Synonyms

Name of Substance

  • Tetrasodium 4,4'-bis(4-(4-sulfophenylamino)-6-(bis(2-hydroxypropyl)amino)-s-triazin-2-yl)amino-2,2-stilbenedisulfonate

Synonyms

  • 4,4'-Bis(4-(4-sulfophenylamino)-6-(bis(2-hydroxypropyl)amino)-s-triazin-2-yl)amino-2,2-stilbenedisulfonic acid, tetrasodium salt
  • EC 267-097-1
  • EINECS 267-097-1
  • Tetrasodium 4,4'-bis(4-(4-sulfophenylamino)-6-(bis(2-hydroxypropyl)amino)-s-triazin-2-yl)amino-2,2-stilbenedisulfonate
  • UNII-1IQ37U7KFJ

Systematic Names

  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxypropyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:4)
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxypropyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, tetrasodium salt
  • Tetrasodium 4,4'-bis((4-(bis(2-hydroxypropyl)amino)-6-((4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-stilbene-2,2'-disulphonate

Superlist Name

  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxypropyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, tetrasodium salt

Registry Numbers

CAS Registry Number

  • 67786-25-8

FDA UNII

  • 1IQ37U7KFJ

System Generated Number

  • 0067786258

Molecular Formulas

Molecular Formula

  • C44-H52-N12-O16-S4.4Na

Molecular Formula Fragments

  • C44-H52-N12-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H52N12O16S4.4Na/c1-25(57)21-55(22-26(2)58)43-51-39(45-31-11-15-35(16-12-31)73(61,62)63)49-41(53-43)47-33-9-7-29(37(19-33)75(67,68)69)5-6-30-8-10-34(20-38(30)76(70,71)72)48-42-50-40(46-32-13-17-36(18-14-32)74(64,65)66)52-44(54-42)56(23-27(3)59)24-28(4)60;;;;/h5-20,25-28,57-60H,21-24H2,1-4H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4/b6-5+;;;;

InChIKey

NTHKAJBKFNFLHL-WPYDVODASA-J

Smiles

c1(nc(Nc2ccc(S(=O)(=O)[O-])cc2)nc(n1)Nc1cc(S(=O)(=O)[O-])c(\C=C\c2c(S(=O)([O-])=O)cc(Nc3nc(N(C[C@@H](O)C)C[C@@H](O)C)nc(n3)Nc3ccc(S(=O)(=O)[O-])cc3)cc2)cc1)N(C[C@@H](O)C)C[C@@H](O)C.[Na+].[Na+].[Na+].[Na+]