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Substance Name: Tetrasodium 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino))benzenesulfonate
RN: 29637-52-3
UNII: 7H6IP22N91
InChIKey: BHMCWKHQTHVFST-MBCFVHIPSA-J

Molecular Formula

  • C42-H46-N14-O16-S4.4Na

Molecular Weight

  • 1219.0998
 
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Names and Synonyms

Name of Substance

  • Tetrasodium 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino))benzenesulfonate

Synonyms

  • 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-((2-carbamoylethyl)(2-hydroxyethyl)amino)-6-(p-sulfoanilino)-s-triazin-2-yl)amino)-, tetrasodium salt
  • EINECS 249-747-6
  • Tetrasodium 4,4'-bis((4-((2-carbamoylethyl)(2-hydroxyethyl)amino)-6-(p-sulfoanilino)-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonate
  • UNII-7H6IP22N91

Systematic Names

  • 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-((2-carbamoylethyl)(2-hydroxyethyl)amino)-6-(p-sulfoanilino)-s-triazin-2-yl)amino)-, tetrasodium salt
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)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-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, tetrasodium salt
  • Tetrasodium 4,4'-bis((4-((2-carbamoylethyl)(2-hydroxyethyl)amino)-6-(p-sulphonatoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate

Superlist Name

  • 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-((2-carbamoylethyl)(2-hydroxyethyl)amino)-6-(p-sulfoanilino)-s-triazin-2-yl)amino)-, tetrasodium salt

Registry Numbers

CAS Registry Number

  • 29637-52-3

FDA UNII

  • 7H6IP22N91

System Generated Number

  • 0029637523

Molecular Formulas

Molecular Formula

  • C42-H46-N14-O16-S4.4Na

Molecular Formula Fragments

  • C42-H46-N14-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H46N14O16S4.4Na/c43-35(59)15-17-55(19-21-57)41-51-37(45-27-7-11-31(12-8-27)73(61,62)63)49-39(53-41)47-29-5-3-25(33(23-29)75(67,68)69)1-2-26-4-6-30(24-34(26)76(70,71)72)48-40-50-38(46-28-9-13-32(14-10-28)74(64,65)66)52-42(54-40)56(20-22-58)18-16-36(44)60;;;;/h1-14,23-24,57-58H,15-22H2,(H2,43,59)(H2,44,60)(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/b2-1+;;;;

InChIKey

BHMCWKHQTHVFST-MBCFVHIPSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].NC(=O)CCN(CCO)c1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N(CCO)CCC(=O)N)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1