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Substance Name: Benzamide, 5-((p-(bis(2-bromoethyl)amino)phenyl)thio)-2,4-dinitro-
RN: 32868-88-5
InChIKey: SISHGZYFKJECIW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-Br2-N4-O5-S

Molecular Weight

  • 548.21
 
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Names and Synonyms

Synonym

  • 5-((p-(Bis(2-bromoethyl)amino)phenyl)thio)-2,4-dinitrobenzamide

Systematic Name

  • Benzamide, 5-((p-(bis(2-bromoethyl)amino)phenyl)thio)-2,4-dinitro-

Registry Numbers

CAS Registry Number

  • 32868-88-5

System Generated Number

  • 0032868885

Structure Descriptors

InChI

1S/C17H16Br2N4O5S/c18-5-7-21(8-6-19)11-1-3-12(4-2-11)29-16-9-13(17(20)24)14(22(25)26)10-15(16)23(27)28/h1-4,9-10H,5-8H2,(H2,20,24)

InChIKey

SISHGZYFKJECIW-UHFFFAOYSA-N

Smiles

c1(c(cc([N+](=O)[O-])c(c1)C(N)=O)[N+](=O)[O-])Sc1ccc(N(CCBr)CCBr)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 58mg/kg (58mg/kg)   Chemico-Biological Interactions. Vol. 3, Pg. 95, 1971.