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Substance Name: Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester
RN: 13991-74-7
InChIKey: FPIQZBQZKBKLEI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-Cl-N3-O4

Molecular Weight

  • 305.76
 
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Names and Synonyms

Synonyms

  • 1-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid ethyl ester
  • BRN 2885796
  • NSC 95443

Systematic Names

  • Cyclohexanecarboxylic acid, 1-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, (9CI)
  • Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 13991-74-7

System Generated Number

  • 0013991747

Structure Descriptors

InChI

1S/C12H20ClN3O4/c1-2-20-10(17)12(6-4-3-5-7-12)14-11(18)16(15-19)9-8-13/h2-9H2,1H3,(H,14,18)

InChIKey

FPIQZBQZKBKLEI-UHFFFAOYSA-N

Smiles

C(N(N=O)CCCl)(NC1(C(=O)OCC)CCCCC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 1095, 1980.