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Substance Name: Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester, (E)-
RN: 33073-60-8
InChIKey: KTPPFFGIIASXSR-MGCOHNPYSA-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

  • BRN 2224782
  • Cyclohexanecarboxylic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, ethyl ester
  • NSC 103548
  • trans-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid ethyl ester

Systematic Name

  • Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester, (E)-

Registry Numbers

CAS Registry Number

  • 33073-60-8

System Generated Number

  • 0033073608

Structure Descriptors

InChI

1S/C12H20ClN3O4/c1-2-20-11(17)9-3-5-10(6-4-9)14-12(18)16(15-19)8-7-13/h9-10H,2-8H2,1H3,(H,14,18)/t9-,10-

InChIKey

KTPPFFGIIASXSR-MGCOHNPYSA-N

Smiles

C1[C@@H](CC[C@H](C1)NC(=O)N(N=O)CCCl)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 24150ug/kg (24.15mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,