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Substance Name: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2)
RN: 4028-32-4
InChIKey: HAHRMQHHDYEVCF-SEPHDYHBSA-L

Classification Code

  • Skin / Eye Irritant

Molecular Formulas

  • C28-H30-Cl2-N10-O10-S2.2Na
  • C28-H32-Cl2-N10-O10-S2.2Na

Molecular Weight

  • 847.623
 
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Names and Synonyms

Synonyms

  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-, disodium salt
  • EINECS 223-708-3

Systematic Names

  • 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-bis((2-hydroxyethyl)amino)-6-chloro-s-triazin-2-yl)amino)-, disodium salt
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-, disodium salt
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2)
  • Disodium 4,4'-bis((4-(bis(2-hydroxyethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate

Registry Numbers

CAS Registry Number

  • 4028-32-4

System Generated Number

  • 0004028324

Molecular Formulas

Molecular Formulas

  • C28-H30-Cl2-N10-O10-S2.2Na
  • C28-H32-Cl2-N10-O10-S2.2Na

Molecular Formula Fragments

  • C28-H30-Cl2-N10-O10-S2
  • C28-H32-Cl2-N10-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H32Cl2N10O10S2.2Na/c29-23-33-25(37-27(35-23)39(7-11-41)8-12-42)31-19-5-3-17(21(15-19)51(45,46)47)1-2-18-4-6-20(16-22(18)52(48,49)50)32-26-34-24(30)36-28(38-26)40(9-13-43)10-14-44;;/h1-6,15-16,41-44H,7-14H2,(H,45,46,47)(H,48,49,50)(H,31,33,35,37)(H,32,34,36,38);;/q;2*+1/p-2/b2-1+;;

InChIKey

HAHRMQHHDYEVCF-SEPHDYHBSA-L

Smiles

[Na+].[Na+].C(=C\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Cl)S(=O)(=O)[O-])\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Cl)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 15gm/kg (15000mg/kg)   MVC-Report. Vol. 2, Pg. 193, 1973.