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Substance Name: p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester
RN: 64624-56-2
InChIKey: GRDPPVXBHIKZCH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-Cl-N3-O4

Molecular Weight

  • 299.7126
 
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Names and Synonyms

Synonyms

  • 3-(3-(2-Chloroethyl)-3-nitrosoureido)-p-toluic acid methyl ester
  • Benzoic acid, 3-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-4-methyl-, methyl ester
  • BRN 2167253

Systematic Name

  • p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester

Registry Numbers

CAS Registry Number

  • 64624-56-2

System Generated Number

  • 0064624562

Structure Descriptors

InChI

1S/C12H14ClN3O4/c1-8-3-4-9(11(17)20-2)7-10(8)14-12(18)16(15-19)6-5-13/h3-4,7H,5-6H2,1-2H3,(H,14,18)

InChIKey

GRDPPVXBHIKZCH-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1NC(=O)N(CCCl)N=O)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 33mg/kg (33mg/kg)   Neoplasma. Vol. 28, Pg. 19, 1981.