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Substance Name: p-Toluic acid, 3-(bis(2-chloropropyl)amino)-
RN: 54941-23-0
InChIKey: JHKAMWMWNMZLLS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-Cl2-N-O2

Molecular Weight

  • 304.215
 
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Names and Synonyms

Synonyms

  • 3-(Bis(2-chloropropyl)amino)-p-toluic acid
  • Benzoic acid, 3-(N,N-bis(2-chloropropyl)amino)-4-methyl-
  • BRN 2752405

Systematic Name

  • p-Toluic acid, 3-(bis(2-chloropropyl)amino)-

Registry Numbers

CAS Registry Number

  • 54941-23-0

System Generated Number

  • 0054941230

Structure Descriptors

InChI

1S/C14H19Cl2NO2/c1-9-4-5-12(14(18)19)6-13(9)17(7-10(2)15)8-11(3)16/h4-6,10-11H,7-8H2,1-3H3,(H,18,19)

InChIKey

JHKAMWMWNMZLLS-UHFFFAOYSA-N

Smiles

c1c(C(=O)O)ccc(C)c1N(C[C@@H](Cl)C)C[C@@H](Cl)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 31mg/kg (31mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 18, Pg. 385, 1983.
rat LD50 unreported 34mg/kg (34mg/kg)   Cancer Treatment Reports. Vol. 62, Pg. 2045, 1978.