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Substance Name: 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-(o-hydroxyanilino)-6-(m-sulfoanilino)-s-triazin-2-yl)amino)-, tetrasodium salt
RN: 25198-37-2
InChIKey: OJXIOYPCZVTQGH-JEEAYVPESA-J

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H36-N12-O14-S4.4Na

Molecular Weight

  • 1173.03
 
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Names and Synonyms

Synonyms

  • 4,4'-Bis(2-o-oxyanilino-4-m-sulfoanilino-1,3,5-triazyl-6)stilbene-disulfonate-2,2'
  • TC 17

Systematic Names

  • 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-(o-hydroxyanilino)-6-(m-sulfoanilino)-s-triazin-2-yl)amino)-, tetrasodium salt
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxyphenyl)amino)-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, tetrasodium salt

Registry Numbers

CAS Registry Number

  • 25198-37-2

System Generated Number

  • 0025198372

Molecular Formulas

Molecular Formula

  • C44-H36-N12-O14-S4.4Na

Molecular Formula Fragments

  • C44-H36-N12-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H36N12O14S4.4Na/c57-35-13-3-1-11-33(35)49-43-53-39(45-27-7-5-9-31(21-27)71(59,60)61)51-41(55-43)47-29-19-17-25(37(23-29)73(65,66)67)15-16-26-18-20-30(24-38(26)74(68,69)70)48-42-52-40(46-28-8-6-10-32(22-28)72(62,63)64)54-44(56-42)50-34-12-2-4-14-36(34)58;;;;/h1-24,57-58H,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H3,45,47,49,51,53,55)(H3,46,48,50,52,54,56);;;;/q;4*+1/p-4/b16-15+;;;;

InChIKey

OJXIOYPCZVTQGH-JEEAYVPESA-J

Smiles

[Na+].C(=C\c1c(cc(cc1)Nc1nc(nc(n1)Nc1c(cccc1)O)Nc1cc(ccc1)S(=O)(=O)[O-])S(=O)(=O)[O-])\c1c(cc(cc1)Nc1nc(nc(n1)Nc1c(cccc1)O)Nc1cc(ccc1)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 540mg/kg (540mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Chemotherapy Vol. 17, Pg. 1977, 1969.
mouse LD50 intravenous 145mg/kg (145mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" Chemotherapy Vol. 17, Pg. 1977, 1969.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Chemotherapy Vol. 17, Pg. 1977, 1969.
mouse LD50 subcutaneous 700mg/kg (700mg/kg) BEHAVIORAL: EXCITEMENT Chemotherapy Vol. 17, Pg. 1977, 1969.
rat LD50 intraperitoneal 560mg/kg (560mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Chemotherapy Vol. 17, Pg. 1977, 1969.
rat LD50 intravenous 500mg/kg (500mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" Chemotherapy Vol. 17, Pg. 1977, 1969.