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Substance Name: NSC 80831
RN: 1233-90-5
InChIKey: IZTDVWPJTVBVGE-FYJGNVAPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-Br-Cl-F-N2

Molecular Weight

  • 383.69
 
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Names and Synonyms

Results Name

  • NSC 80831

Synonyms

  • 4-Bromo-N'-(2-chloroethyl)-N'-(2-fluoroethyl)-N,4'-methylidynedi-aniline
  • Aniline, 4-bromo-N'-(2-chloroethyl)-N'-(2-fluoroethyl)-N,4'-methylidynedi-
  • BRN 2817469
  • NSC 80831

Systematic Name

  • p-Toluidine, alpha-((p-bromophenyl)imino)-N-(2-chloroethyl)-N-(2-fluoroethyl)-

Registry Numbers

CAS Registry Number

  • 1233-90-5

System Generated Number

  • 0001233905

Structure Descriptors

InChI

1S/C17H17BrClFN2/c18-15-3-5-16(6-4-15)21-13-14-1-7-17(8-2-14)22(11-9-19)12-10-20/h1-8,13H,9-12H2/b21-13+

InChIKey

IZTDVWPJTVBVGE-FYJGNVAPSA-N

Smiles

N(=C\c1ccc(cc1)N(CCCl)CCF)\c1ccc(cc1)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD10 intraperitoneal 10mg/kg (10mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 741, 1965.