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Substance Name: Benzoic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-2,6-dimethyl-
RN: 33054-79-4
InChIKey: LHXROPALKCXVAZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-Cl-N3-O4

Molecular Weight

  • 299.713
 
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Names and Synonyms

Synonyms

  • 1-(2-Chloroethyl)-1-nitroso-3-(4-carboxy-3,5-dimethylphenyl)urea
  • 4-(1-(2-Chloroethyl)-1-nitrosoureido)-2,6-dimethylbenzoic acid
  • BRN 2172034
  • Urea, 1-(2-chloroethyl)-1-nitroso-3-(4-carboxy-3,5-dimethylphenyl)-

Systematic Name

  • Benzoic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-2,6-dimethyl-

Registry Numbers

CAS Registry Number

  • 33054-79-4

System Generated Number

  • 0033054794

Structure Descriptors

InChI

1S/C12H14ClN3O4/c1-7-5-9(6-8(2)10(7)11(17)18)14-12(19)16(15-20)4-3-13/h5-6H,3-4H2,1-2H3,(H,14,19)(H,17,18)

InChIKey

LHXROPALKCXVAZ-UHFFFAOYSA-N

Smiles

c1(NC(N(CCCl)N=O)=O)cc(c(C(O)=O)c(c1)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 93mg/kg (93mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 600, 1971.