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Substance Name: Cyclohexanecarboxylic acid, 4-((((2-fluoroethyl)nitrosoamino)carbonyl)amino)-, trans- (9CI)
RN: 61137-52-8
InChIKey: YTWIKXYJTKQLDW-ZKCHVHJHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H16-F-N3-O4

Molecular Weight

  • 261.251
 
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Names and Synonyms

Synonyms

  • NSC 224092
  • trans-3-(4-Carboxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea
  • trans-4-(3-(2-Fluoroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid
  • Urea, 3-(4-carboxycyclohexyl)-1-(2-fluoroethyl)-1-nitroso-, (E)-

Systematic Names

  • Cyclohexanecarboxylic acid, 4-((((2-fluoroethyl)nitrosoamino)carbonyl)amino)-, trans- (9CI)
  • Cyclohexanecarboxylic acid, 4-(3-(2-fluoroethyl)-3-nitrosoureido)-, (E)-

Registry Numbers

CAS Registry Number

  • 61137-52-8

System Generated Number

  • 0061137528

Structure Descriptors

InChI

1S/C10H16FN3O4/c11-5-6-14(13-18)10(17)12-8-3-1-7(2-4-8)9(15)16/h7-8H,1-6H2,(H,12,17)(H,15,16)/t7-,8-

InChIKey

YTWIKXYJTKQLDW-ZKCHVHJHSA-N

Smiles

C(N(N=O)CCF)(N[C@@H]1CC[C@@H](C(O)=O)CC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 56610ug/kg (56.61mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,