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Substance Name: 1,3-Benzenediamine, N,N'-bis(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-
RN: 138878-42-9
InChIKey: OVYGDFDMZNYEGZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H36-N6-O6-S2

Molecular Weight

  • 592.7384
 
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Names and Synonyms

Synonyms

  • BRN 5369860
  • N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine

Systematic Name

  • 1,3-Benzenediamine, N,N'-bis(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-

Registry Numbers

CAS Registry Number

  • 138878-42-9

System Generated Number

  • 0138878429

Structure Descriptors

InChI

1S/C26H36N6O6S2/c1-29(2)15-19-5-7-21(37-19)17-39-11-9-27-23-13-24(26(32(35)36)14-25(23)31(33)34)28-10-12-40-18-22-8-6-20(38-22)16-30(3)4/h5-8,13-14,27-28H,9-12,15-18H2,1-4H3

InChIKey

OVYGDFDMZNYEGZ-UHFFFAOYSA-N

Smiles

CN(C)Cc1ccc(o1)CSCCNc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCCSCc3ccc(o3)CN(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 70mg/kg (70mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 1102, 1992.