Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Urea, N'-(2-chlorocyclohexyl)-N-(2-chloroethyl)-N-nitroso-, trans- (9CI)
RN: 13909-12-1
InChIKey: AVQDABCAQFMRFT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H15-Cl2-N3-O2

Molecular Weight

  • 268.142
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • AI3-52783
  • NSC 88,104
  • SRI 2636
  • trans-3-(2-Chlorocyclohexyl)-1-(2-chloroethyl)-1-nitrosourea
  • Urea, 3-(2-chlorocyclohexyl)-1-(2-chloroethyl)-1-nitroso-, (E)-
  • Urea, 3-(trans-2-chlorocyclohexyl)-1-(2-chloroethyl)-1-nitroso-

Systematic Names

  • Urea, 3-(2-chlorocyclohexyl)-1-(2-chloroethyl)-1-nitroso-, (E)-
  • Urea, 3-(2-chlorocyclohexyl)-1-(2-chloroethyl)-1-nitroso-, trans- (8CI)
  • Urea, N'-(2-chlorocyclohexyl)-N-(2-chloroethyl)-N-nitroso-, trans- (9CI)

Registry Numbers

CAS Registry Number

  • 13909-12-1

System Generated Number

  • 0013909121

Structure Descriptors

InChI

1S/C9H15Cl2N3O2/c10-5-6-14(13-16)9(15)12-8-4-2-1-3-7(8)11/h7-8H,1-6H2,(H,12,15)

InChIKey

AVQDABCAQFMRFT-UHFFFAOYSA-N

Smiles

C(N(N=O)CCCl)(N[C@@H]1[C@@H](Cl)CCCC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 62230ug/kg (62.23mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 oral 51100ug/kg (51.1mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 subcutaneous 74600ug/kg (74.6mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.73 (none)   EXP
Water Solubility 87.3 mg/L 25 EST
Vapor Pressure 2.12E-06 mm Hg 25 EST
Henry's Law Constant 6.52E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.11E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.