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Substance Name: Benzoic acid, 4-(bis(2-chloroethyl)amino)-2-methyl- (9CI)
RN: 18595-03-4
InChIKey: DMKXPQIHAAYYKG-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-(Bis(2-chloroethyl)amino)-o-toluic acid
  • Acidul 4,N,N-di-(2-cloretil)amino-2-metilbenzoic
  • Acidul 4,N,N-di-(2-cloretil)amino-2-metilbenzoic [Romanian]

Systematic Names

  • Benzoic acid, 4-(bis(2-chloroethyl)amino)-2-methyl- (9CI)
  • o-Toluic acid, 4-(bis(2-chloroethyl)amino)-

Registry Numbers

CAS Registry Number

  • 18595-03-4

System Generated Number

  • 0018595034

Structure Descriptors

InChI

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

InChIKey

DMKXPQIHAAYYKG-UHFFFAOYSA-N

Smiles

C(c1c(cc(cc1)N(CCCl)CCCl)C)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 57600ug/kg (57.6mg/kg)   Farmacia Vol. 17, Pg. 473, 1969.
rat LD50 unreported 58mg/kg (58mg/kg)   Neoplasma. Vol. 27, Pg. 271, 1980.