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Substance Name: Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-
RN: 142744-29-4
InChIKey: MVJGXHDGHVCSQW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H24-N6-O5-S

Molecular Weight

  • 496.5456
 
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Names and Synonyms

Synonym

  • BRN 5841483

Systematic Name

  • Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-

Registry Numbers

CAS Registry Number

  • 142744-29-4

System Generated Number

  • 0142744294

Structure Descriptors

InChI

1S/C23H24N6O5S/c1-27(2)14-17-7-8-18(34-17)15-35-10-9-25-20-11-21(23(29(32)33)12-22(20)28(30)31)26-19-6-4-3-5-16(19)13-24/h3-8,11-12,25-26H,9-10,14-15H2,1-2H3

InChIKey

MVJGXHDGHVCSQW-UHFFFAOYSA-N

Smiles

CN(C)Cc1ccc(o1)CSCCNc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])Nc3ccccc3C#N

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.