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Substance Name: Benzenamine, 4,4'-thiobis(N-(4-((chloromethyl)sulfonyl)-2-nitrophenyl)-
RN: 56947-98-9
InChIKey: CONQGENNIDUUPO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H20-Cl2-N4-O8-S3

Molecular Weight

  • 683.568
 
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Names and Synonyms

Synonyms

  • 4,4'-Thiobis(N-(4-((chloromethyl)sulfonyl)-2-nitrophenyl)benzenamine)
  • BRN 3079396

Systematic Name

  • Benzenamine, 4,4'-thiobis(N-(4-((chloromethyl)sulfonyl)-2-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 56947-98-9

System Generated Number

  • 0056947989

Structure Descriptors

InChI

1S/C26H20Cl2N4O8S3/c27-15-42(37,38)21-9-11-23(25(13-21)31(33)34)29-17-1-5-19(6-2-17)41-20-7-3-18(4-8-20)30-24-12-10-22(43(39,40)16-28)14-26(24)32(35)36/h1-14,29-30H,15-16H2

InChIKey

CONQGENNIDUUPO-UHFFFAOYSA-N

Smiles

c1(c(cc(S(CCl)(=O)=O)cc1)[N+](=O)[O-])Nc1ccc(Sc2ccc(Nc3c(cc(S(CCl)(=O)=O)cc3)[N+](=O)[O-])cc2)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 27, Pg. 283, 1975.