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Substance Name: N-((N,N-Dimethylamino)ethyl)-5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide
RN: 142439-63-2
InChIKey: KHXWXJZPAQGKDJ-UHFFFAOYSA-N

Molecular Formula

  • C15-H21-Cl2-N5-O5

Molecular Weight

  • 422.267
 
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Names and Synonyms

Name of Substance

  • N-((N,N-Dimethylamino)ethyl)-5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide

Synonyms

  • 5-(Bis(2-chloroethyl)amino)-N-(2-(dimethylamino)ethyl)-2,4-dinitrobenzamide
  • Debcadb

Systematic Name

  • Benzamide, 5-(bis(2-chloroethyl)amino)-N-(2-(dimethylamino)ethyl)-2,4-dinitro-

Registry Numbers

CAS Registry Number

  • 142439-63-2

System Generated Number

  • 0142439632

Structure Descriptors

InChI

1S/C15H21Cl2N5O5/c1-19(2)8-5-18-15(23)11-9-13(20(6-3-16)7-4-17)14(22(26)27)10-12(11)21(24)25/h9-10H,3-8H2,1-2H3,(H,18,23)

InChIKey

KHXWXJZPAQGKDJ-UHFFFAOYSA-N

Smiles

C(c1c(cc(c(c1)N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])(=O)NCCN(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 101mg/kg (101mg/kg)   Journal of Medicinal Chemistry. Vol. 39, Pg. 2518, 1996.