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Substance Name: Benzoic acid, m-(bis(2-chloroethyl)amino)-, methyl ester
RN: 24830-50-0
InChIKey: PTUQHLMPEYWOFY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-Cl2-N-O2

Molecular Weight

  • 276.161
 
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Names and Synonyms

Synonyms

  • 4-14-00-01098 (Beilstein Handbook Reference)
  • BRN 2811880
  • m-(Bis(2-chloroethyl)amino)benzoic acid methyl ester

Systematic Name

  • Benzoic acid, m-(bis(2-chloroethyl)amino)-, methyl ester

Registry Numbers

CAS Registry Number

  • 24830-50-0

System Generated Number

  • 0024830500

Structure Descriptors

InChI

1S/C12H15Cl2NO2/c1-17-12(16)10-3-2-4-11(9-10)15(7-5-13)8-6-14/h2-4,9H,5-8H2,1H3

InChIKey

PTUQHLMPEYWOFY-UHFFFAOYSA-N

Smiles

c1(N(CCCl)CCCl)cc(ccc1)C(OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 77mg/kg (77mg/kg)   Neoplasma. Vol. 27, Pg. 261, 1980.