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Substance Name: Wobital BBK
RN: 16324-27-9
InChIKey: HECFMGCMMKUMIN-YZNHWISSSA-N

Molecular Formulas

  • C36-H32-N12-O14-S4.4Na
  • C36-H36-N12-O14-S4.4Na

Molecular Weight

  • 1080.97
 
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Names and Synonyms

Results Name

  • Wobital BBK

Synonyms

  • 2,2'-(1,2-Ethenediyl)bis(5-(4-((2-hydroxyethyl)amino)-6-((m-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid, tetrasodium salt
  • 4,4'-Bis((4-((2-hydroxyethyl)amino)-6-(m-sulfoanilino)-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonic acid tetrasodium salt
  • EC 240-400-4
  • EINECS 240-400-4
  • Wobital BBK

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 16324-27-9

Other Registry Numbers

  • 11107-83-8
  • 12270-51-8
  • 12676-26-5
  • 61968-74-9
  • 75026-69-6

System Generated Number

  • 0016324279

Molecular Formulas

Molecular Formulas

  • C36-H32-N12-O14-S4.4Na
  • C36-H36-N12-O14-S4.4Na

Molecular Formula Fragments

  • C36-H32-N12-O14-S4
  • C36-H36-N12-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H36N12O14S4.4Na/c49-15-13-37-31-43-33(39-23-3-1-5-27(17-23)63(51,52)53)47-35(45-31)41-25-11-9-21(29(19-25)65(57,58)59)7-8-22-10-12-26(20-30(22)66(60,61)62)42-36-46-32(38-14-16-50)44-34(48-36)40-24-4-2-6-28(18-24)64(54,55)56;;;;/h1-12,17-20,49-50H,13-16H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;;;/q;4*+1/b8-7+;;;;

InChIKey

HECFMGCMMKUMIN-YZNHWISSSA-N

Smiles

c1c(Nc2nc(nc(NCCO)n2)Nc2cc(S(O)(=O)=O)ccc2)ccc(c1S(O)(=O)=O)\C=C\c1ccc(cc1S(O)(=O)=O)Nc1nc(nc(n1)NCCO)Nc1cc(ccc1)S(O)(=O)=O.[Na+].[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 2gm/kg (2000mg/kg)   MVC-Report. Vol. 2, Pg. 193, 1973.