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Substance Name: 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-pyridinylmethyl)-
RN: 142744-23-8
InChIKey: NMIVJPRSJCLQCG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N6-O5-S

Molecular Weight

  • 486.5504
 
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Names and Synonyms

Synonym

  • BRN 5841153

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 142744-23-8

System Generated Number

  • 0142744238

Structure Descriptors

InChI

1S/C22H26N6O5S/c1-26(2)14-17-5-6-18(33-17)15-34-9-8-24-19-10-20(25-13-16-4-3-7-23-12-16)22(28(31)32)11-21(19)27(29)30/h3-7,10-12,24-25H,8-9,13-15H2,1-2H3

InChIKey

NMIVJPRSJCLQCG-UHFFFAOYSA-N

Smiles

CN(C)Cc1ccc(o1)CSCCNc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCc3cccnc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 3141, 1991.