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Substance Name: Tinopal CH 3669
RN: 41098-56-0
InChIKey: KMPSLWWDIJFERN-PTNBLCRGSA-H

Molecular Formulas

  • C40-H38-N12-O18-S6.6Na
  • C40-H44-N12-O18-S6.6Na

Molecular Weight

  • 1305.1422
 
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Names and Synonyms

Results Name

  • Tinopal CH 3669

Synonyms

  • 1,4-Benzenedisulfonic acid,2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(diethylamino)-1,3,5-triazine-4,2-diyl)imino))bis-,hexasodium salt
  • 2,2'-(1,2-Ethenediyl)bis(5-((4-(diethylamino)-6-((2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid, hexasodium salt
  • EC 255-217-5
  • EINECS 255-217-5
  • Tinopal CH 3669

Systematic Names

  • 1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(diethylamino)-1,3,5-triazine-4,2-diyl)imino))bis-, hexasodium salt
  • 1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(diethylamino)-1,3,5-triazine-4,2-diyl)imino))bis-, sodium salt (1:6)
  • 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-(2,5-disulfoanilino)-6-(diethylamino)-s-triazin-2-yl)amino)-, hexasodium salt
  • Hexasodium 2,2'-(vinylenebis((3-sulphonato-4,1-phenylene)imino(6-(diethylamino)-1,3,5-triazine-4,2-diyl)imino))bis(benzene-1,4-disulphonate)

Registry Numbers

CAS Registry Number

  • 41098-56-0

Other Registry Number

  • 68155-56-6

System Generated Number

  • 0041098560

Molecular Formulas

Molecular Formulas

  • C40-H38-N12-O18-S6.6Na
  • C40-H44-N12-O18-S6.6Na

Molecular Formula Fragments

  • C40-H38-N12-O18-S6
  • C40-H44-N12-O18-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H44N12O18S6.6Na/c1-5-51(6-2)39-47-35(45-37(49-39)43-29-21-27(71(53,54)55)15-17-31(29)73(59,60)61)41-25-13-11-23(33(19-25)75(65,66)67)9-10-24-12-14-26(20-34(24)76(68,69)70)42-36-46-38(50-40(48-36)52(7-3)8-4)44-30-22-28(72(56,57)58)16-18-32(30)74(62,63)64;;;;;;/h9-22H,5-8H2,1-4H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;;;/q;6*+1/p-6/b10-9+;;;;;;

InChIKey

KMPSLWWDIJFERN-PTNBLCRGSA-H

Smiles

CCN(CC)c1nc(nc(n1)Nc2cc(ccc2S(=O)(=O)[O-])S(=O)(=O)[O-])Nc3ccc(c(c3)S(=O)(=O)[O-])/C=C/c4ccc(cc4S(=O)(=O)[O-])Nc5nc(nc(n5)N(CC)CC)Nc6cc(ccc6S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[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.
rat LD50 oral 11320mg/kg (11320mg/kg)   MVC-Report. Vol. 2, Pg. 193, 1973.