Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropyl ester
RN: 21447-81-4
InChIKey: RBDRSDNCAYGHIW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H21-Cl2-N-O2

Molecular Weight

  • 318.242
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3-(Bis(2-chloroethyl)amino)-p-toluic acid, isopropyl ester
  • Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 1-methylethyl ester
  • BRN 3101463

Systematic Name

  • p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropyl ester

Registry Numbers

CAS Registry Number

  • 21447-81-4

System Generated Number

  • 0021447814

Structure Descriptors

InChI

1S/C15H21Cl2NO2/c1-11(2)20-15(19)13-5-4-12(3)14(10-13)18(8-6-16)9-7-17/h4-5,10-11H,6-9H2,1-3H3

InChIKey

RBDRSDNCAYGHIW-UHFFFAOYSA-N

Smiles

C(c1cc(N(CCCl)CCCl)c(cc1)C)(OC(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 20mg/kg (20mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 161, 1969.
rat LD50 unreported 20mg/kg (20mg/kg)   Neoplasma. Vol. 27, Pg. 271, 1980.