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Substance Name: Urea, N-(2-chloroethyl)-N'-cyclododecyl-N-nitroso- (9CI)
RN: 13909-14-3
InChIKey: GTKDEBRRAOOCCY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H28-Cl-N3-O2

Molecular Weight

  • 317.8582
 
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Names and Synonyms

Synonyms

  • 1-(2-Chloroethyl)-3-cyclododecyl-1-nitrosourea
  • BRN 2876042
  • N-(2-Chloroethyl)-N'-cyclododecyl-N-nitrosourea
  • NSC 91726

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 13909-14-3

System Generated Number

  • 0013909143

Structure Descriptors

InChI

1S/C15H28ClN3O2/c16-12-13-19(18-21)15(20)17-14-10-8-6-4-2-1-3-5-7-9-11-14/h14H,1-13H2,(H,17,20)

InChIKey

GTKDEBRRAOOCCY-UHFFFAOYSA-N

Smiles

ClCCN(N=O)C(=O)NC1CCCCCCCCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1297mg/kg (1297mg/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) 5.64 (none)   EXP
Water Solubility 0.147 mg/L 25 EST
Vapor Pressure 4.60E-08 mm Hg 25 EST
Henry's Law Constant 1.01E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.04E-11 cm3/molecule-sec 25 EST

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