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Substance Name: o-Toluic acid, 6-(bis(2-chloroethyl)amino)-, methyl ester
RN: 18583-82-9
InChIKey: JYOLRWHQHHSQGQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-Cl2-N-O2

Molecular Weight

  • 290.188
 
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Names and Synonyms

Synonyms

  • 6-(Bis(2-chloroethyl)amino)-o-toluic acid methyl ester
  • Benzoic acid, 6-(bis(2-chloroethyl)amino)-2-methyl-, methyl ester
  • BRN 3096674

Systematic Name

  • o-Toluic acid, 6-(bis(2-chloroethyl)amino)-, methyl ester

Registry Numbers

CAS Registry Number

  • 18583-82-9

System Generated Number

  • 0018583829

Structure Descriptors

InChI

1S/C13H17Cl2NO2/c1-10-4-3-5-11(12(10)13(17)18-2)16(8-6-14)9-7-15/h3-5H,6-9H2,1-2H3

InChIKey

JYOLRWHQHHSQGQ-UHFFFAOYSA-N

Smiles

C(c1c(cccc1C)N(CCCl)CCCl)(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 315mg/kg (315mg/kg)   Cancer Treatment Reports. Vol. 62, Pg. 2045, 1978.