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Substance Name: Urea, 1-(2-chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitroso-, acetate (ester), (Z)-
RN: 59414-37-8
InChIKey: TVOAVZLZJXCTGE-ZJUUUORDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H18-Cl-N3-O4

Molecular Weight

  • 291.7332
 
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Names and Synonyms

Synonyms

  • cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester)
  • NSC 204817

Systematic Name

  • Urea, 1-(2-chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitroso-, acetate (ester), (Z)-

Registry Numbers

CAS Registry Number

  • 59414-37-8

System Generated Number

  • 0059414378

Structure Descriptors

InChI

1S/C11H18ClN3O4/c1-8(16)19-10-5-3-2-4-9(10)13-11(17)15(14-18)7-6-12/h9-10H,2-7H2,1H3,(H,13,17)/t9-,10+/m1/s1

InChIKey

TVOAVZLZJXCTGE-ZJUUUORDSA-N

Smiles

CC(=O)O[C@H]1CCCC[C@H]1NC(=O)N(CCCl)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 49mg/kg (49mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 1095, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.98 (none)   EXP
Water Solubility 279 mg/L 25 EST
Vapor Pressure 3.34E-07 mm Hg 25 EST
Henry's Law Constant 4.40E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.52E-11 cm3/molecule-sec 25 EST

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