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Substance Name: 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-phenyl-
RN: 142744-27-2
InChIKey: GXKOKBLWYHLOTL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N5-O5-S

Molecular Weight

  • 471.5355
 
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Names and Synonyms

Synonym

  • BRN 5840026

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 142744-27-2

System Generated Number

  • 0142744272

Structure Descriptors

InChI

1S/C22H25N5O5S/c1-25(2)14-17-8-9-18(32-17)15-33-11-10-23-19-12-20(24-16-6-4-3-5-7-16)22(27(30)31)13-21(19)26(28)29/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3

InChIKey

GXKOKBLWYHLOTL-UHFFFAOYSA-N

Smiles

CN(C)Cc1ccc(o1)CSCCNc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])Nc3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 170mg/kg (170mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 3141, 1991.