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Substance Name: Urea, N-(2-chloroethyl)-N'-(4-hydroxycyclohexyl)-N-nitroso-, cis- (9CI)
RN: 52049-26-0
InChIKey: BTNKSMIZKSHDNT-OCAPTIKFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H16-Cl-N3-O3

Molecular Weight

  • 249.696
 
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Names and Synonyms

Synonyms

  • 1-(2-Chloroethyl)-3-(cis-4-hydroxycyclohexyl)-1-nitrosourea
  • cis-4-Hydroxy-ccnu
  • cis-4-OH-CCNU
  • NSC 239724
  • Urea, 1-(2-chloroethyl)-3-(cis-4-hydroxycyclohexyl)-1-nitroso-

Systematic Names

  • Urea, 1-(2-chloroethyl)-3-(cis-4-hydroxycyclohexyl)-1-nitroso-
  • Urea, N-(2-chloroethyl)-N'-(4-hydroxycyclohexyl)-N-nitroso-, cis- (9CI)

Registry Numbers

CAS Registry Number

  • 52049-26-0

System Generated Number

  • 0052049260

Structure Descriptors

InChI

1S/C9H16ClN3O3/c10-5-6-13(12-16)9(15)11-7-1-3-8(14)4-2-7/h7-8,14H,1-6H2,(H,11,15)/t7-,8+

InChIKey

BTNKSMIZKSHDNT-OCAPTIKFSA-N

Smiles

C(N(N=O)CCCl)(N[C@H]1CC[C@@H](O)CC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intravenous 25mg/kg (25mg/kg)   Antibiotics and Chemotherapy Vol. 23, Pg. 64, 1978.
mouse LD50 intraperitoneal 60180ug/kg (60.18mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LDLo intrapleural 33mg/kg (33mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 634, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.11 (none)   EXP
Water Solubility 3320 mg/L 25 EST
Vapor Pressure 1.64E-08 mm Hg 25 EST
Henry's Law Constant 6.76E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.09E-11 cm3/molecule-sec 25 EST

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