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Substance Name: Urea, N-(2-chloroethyl)-N'-cyclopentyl-N-nitroso- (9CI)
RN: 13909-03-0
InChIKey: XZGYNWBIAGZROB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H14-Cl-N3-O2

Molecular Weight

  • 219.6706
 
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Names and Synonyms

Synonyms

  • 1-(2-Chloroethyl)-3-cyclopentyl-1-nitrosourea
  • AI3-52895
  • BRN 2848612
  • N-(2-Chloroethyl)-N'-cyclopentyl-N-nitrosourea
  • NSC 90330

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 13909-03-0

System Generated Number

  • 0013909030

Structure Descriptors

InChI

1S/C8H14ClN3O2/c9-5-6-12(11-14)8(13)10-7-3-1-2-4-7/h7H,1-6H2,(H,10,13)

InChIKey

XZGYNWBIAGZROB-UHFFFAOYSA-N

Smiles

ClCCN(N=O)C(=O)NC1CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 102mg/kg (102mg/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) 2.2 (none)   EXP
Water Solubility 457 mg/L 25 EST
Vapor Pressure 2.44E-05 mm Hg 25 EST
Henry's Law Constant 1.39E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.41E-11 cm3/molecule-sec 25 EST

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