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Substance Name: 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(phenylmethyl)-
RN: 142744-24-9
InChIKey: ZXWMHVSJDRFKHN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N5-O5-S

Molecular Weight

  • 485.5623
 
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Names and Synonyms

Synonym

  • BRN 5840829

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 142744-24-9

System Generated Number

  • 0142744249

Structure Descriptors

InChI

1S/C23H27N5O5S/c1-26(2)15-18-8-9-19(33-18)16-34-11-10-24-20-12-21(25-14-17-6-4-3-5-7-17)23(28(31)32)13-22(20)27(29)30/h3-9,12-13,24-25H,10-11,14-16H2,1-2H3

InChIKey

ZXWMHVSJDRFKHN-UHFFFAOYSA-N

Smiles

CN(C)Cc1ccc(o1)CSCCNc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCc3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 130mg/kg (130mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 3141, 1991.