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Substance Name: 1,3-Benzenediamine, 4,6-dinitro-N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-
RN: 142744-17-0
InChIKey: HAFSYIUXFNUVMN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N5-O5-S

Molecular Weight

  • 395.4379
 
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Names and Synonyms

Synonym

  • BRN 5836042

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 142744-17-0

System Generated Number

  • 0142744170

Structure Descriptors

InChI

1S/C16H21N5O5S/c1-19(2)9-11-3-4-12(26-11)10-27-6-5-18-14-7-13(17)15(20(22)23)8-16(14)21(24)25/h3-4,7-8,18H,5-6,9-10,17H2,1-2H3

InChIKey

HAFSYIUXFNUVMN-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 120mg/kg (120mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 3141, 1992.