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Substance Name: 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-propyl-
RN: 142744-19-2
InChIKey: JONYPUKQVRMTRD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H27-N5-O5-S

Molecular Weight

  • 437.5183
 
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Names and Synonyms

Synonym

  • BRN 5837330

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 142744-19-2

System Generated Number

  • 0142744192

Structure Descriptors

InChI

1S/C19H27N5O5S/c1-4-7-20-16-10-17(19(24(27)28)11-18(16)23(25)26)21-8-9-30-13-15-6-5-14(29-15)12-22(2)3/h5-6,10-11,20-21H,4,7-9,12-13H2,1-3H3

InChIKey

JONYPUKQVRMTRD-UHFFFAOYSA-N

Smiles

CCCNc1cc(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 110mg/kg (110mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 3141, 1991.