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Substance Name: Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl-
RN: 19143-31-8
InChIKey: NJWQSJJEHFBDGA-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-chloroethyl)amino)-4-propylbenzoic acid
  • BRN 2747842

Systematic Name

  • Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl-

Registry Numbers

CAS Registry Number

  • 19143-31-8

System Generated Number

  • 0019143318

Structure Descriptors

InChI

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

InChIKey

NJWQSJJEHFBDGA-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)C(O)=O)CCC)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 362mg/kg (362mg/kg)   Neoplasma. Vol. 27, Pg. 261, 1980.