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Substance Name: 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-methyl-
RN: 142744-18-1
InChIKey: GUSIEDDJDIMRDC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-N5-O5-S

Molecular Weight

  • 409.4647
 
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Names and Synonyms

Synonym

  • BRN 5836339

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 142744-18-1

System Generated Number

  • 0142744181

Structure Descriptors

InChI

1S/C17H23N5O5S/c1-18-14-8-15(17(22(25)26)9-16(14)21(23)24)19-6-7-28-11-13-5-4-12(27-13)10-20(2)3/h4-5,8-9,18-19H,6-7,10-11H2,1-3H3

InChIKey

GUSIEDDJDIMRDC-UHFFFAOYSA-N

Smiles

CNc1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCCSCc2ccc(o2)CN(C)C

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.