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Substance Name: p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt
RN: 69885-00-3
InChIKey: VLBHGZCPONDJSR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-Cl2-N-O2.C3-H10-N

Molecular Weight

  • 335.2726
 
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Names and Synonyms

Synonyms

  • 3-(Bis(2-chloroethyl)amino)-p-toluic acid isopropylamine salt
  • Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, compd. with 2-propanamine (1:1)

Systematic Name

  • p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt

Registry Numbers

CAS Registry Number

  • 69885-00-3

System Generated Number

  • 0069885003

Molecular Formulas

Molecular Formula

  • C12-H14-Cl2-N-O2.C3-H10-N

Molecular Formula Fragments

  • C12-H14-Cl2-N-O2
  • C3-H10-N
  • COMPONENT

Structure Descriptors

InChI

1S/C12H15Cl2NO2.C3H9N/c1-9-2-3-10(12(16)17)8-11(9)15(6-4-13)7-5-14;1-3(2)4/h2-3,8H,4-7H2,1H3,(H,16,17);3H,4H2,1-2H3

InChIKey

VLBHGZCPONDJSR-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1N(CCCl)CCCl)C(=O)O.CC(C)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 29mg/kg (29mg/kg)   Cancer Treatment Reports. Vol. 62, Pg. 2045, 1978.