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Substance Name: 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)-
RN: 142744-28-3
InChIKey: YXBRWTPSYYDWIO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-F-N5-O5-S

Molecular Weight

  • 489.5256
 
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Names and Synonyms

Synonym

  • BRN 5840630

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 142744-28-3

System Generated Number

  • 0142744283

Structure Descriptors

InChI

1S/C22H24FN5O5S/c1-26(2)13-17-7-8-18(33-17)14-34-10-9-24-19-11-20(25-16-5-3-15(23)4-6-16)22(28(31)32)12-21(19)27(29)30/h3-8,11-12,24-25H,9-10,13-14H2,1-2H3

InChIKey

YXBRWTPSYYDWIO-UHFFFAOYSA-N

Smiles

CN(C)Cc1ccc(o1)CSCCNc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])Nc3ccc(cc3)F

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.