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Substance Name: Urea, N'-(2-chloroethyl)-N-(2-fluoroethyl)-N-nitroso- (9CI)
RN: 13908-92-4
InChIKey: SMNFXAFXLXHKSF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H9-Cl-F-N3-O2

Molecular Weight

  • 197.596
 
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Names and Synonyms

Synonyms

  • 1-(2-Chloroethyl)-3-(2-fluoroethyl)-3-nitrosourea
  • BRN 2261943
  • N'-(2-Chloroethyl)-N-(2-fluoroethyl)-N-nitrosourea
  • NSC 154098
  • Urea, 1-(2-chloroethyl)-3-(2-fluoroethyl)-3-nitroso-
  • Urea, 3-(2-chloroethyl)-1-(2-fluoroethyl)-1-nitroso-

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 13908-92-4

System Generated Number

  • 0013908924

Structure Descriptors

InChI

1S/C5H9ClFN3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)

InChIKey

SMNFXAFXLXHKSF-UHFFFAOYSA-N

Smiles

N(N=O)(CCF)C(=O)NCCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 29350ug/kg (29.35mg/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) 0.96 (none)   EXP
Water Solubility 6810 mg/L 25 EST
Vapor Pressure 4.25E-04 mm Hg 25 EST
Henry's Law Constant 2.69E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.26E-12 cm3/molecule-sec 25 EST

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