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Substance Name: m-Toluic acid, 5-bis(2-chloroethyl)amino-
RN: 17191-65-0
InChIKey: XUOHIEMVNRNKFP-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

  • 5-Bis(2-chloroethyl)amino-3-methylbenzoic acid
  • 5-Bis(2-chloroethyl)amino-m-toluic acid
  • Acidul 5,N,N-di-(2-cloretil)amino-3-metilbenzoic
  • Acidul 5,N,N-di-(2-cloretil)amino-3-metilbenzoic [Romanian]
  • Benzoic acid, 5-bis(2-chloroethyl)amino-3-methyl-
  • BRN 3097447

Systematic Name

  • m-Toluic acid, 5-bis(2-chloroethyl)amino-

Registry Numbers

CAS Registry Number

  • 17191-65-0

System Generated Number

  • 0017191650

Structure Descriptors

InChI

1S/C12H15Cl2NO2/c1-9-6-10(12(16)17)8-11(7-9)15(4-2-13)5-3-14/h6-8H,2-5H2,1H3,(H,16,17)

InChIKey

XUOHIEMVNRNKFP-UHFFFAOYSA-N

Smiles

C(c1cc(cc(c1)C)N(CCCl)CCCl)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 52mg/kg (52mg/kg)   Farmacia Vol. 17, Pg. 473, 1969.
rat LD50 unreported 52mg/kg (52mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 500, 1968.