Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Urea, N,N''-1,4-cyclohexanediylbis(N'-(2-chloroethyl)-N'-nitroso-, trans- (9CI)
RN: 13907-57-8
InChIKey: NLVXTJQYQLAKKJ-MGCOHNPYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-Cl2-N6-O4

Molecular Weight

  • 383.234
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • AI3-52894
  • BRN 3017641
  • NSC 93372
  • trans-1,1'-(1,4-Cyclohexylene)bis(3-(2-chloroethyl)-3-nitrosourea)
  • trans-N,N''-1,4-Cyclohexanediylbis(N'-(2-chloroethyl)-N'-nitrosourea)

Systematic Names

  • Urea, 1,1'-(1,4-cyclohexylene)bis(3-(2-chloroethyl)-3-nitroso-, (E)-
  • Urea, N, N''-1,4-cyclohexanediylbis(N'-(2-chloroethyl)-N'-nitroso-, trans-
  • Urea, N,N''-1,4-cyclohexanediylbis(N'-(2-chloroethyl)-N'-nitroso-, trans- (9CI)

Registry Numbers

CAS Registry Number

  • 13907-57-8

System Generated Number

  • 0013907578

Structure Descriptors

InChI

1S/C12H20Cl2N6O4/c13-5-7-19(17-23)11(21)15-9-1-2-10(4-3-9)16-12(22)20(18-24)8-6-14/h9-10H,1-8H2,(H,15,21)(H,16,22)/t9-,10-

InChIKey

NLVXTJQYQLAKKJ-MGCOHNPYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 135mg/kg (135mg/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) 2.74 (none)   EXP
Water Solubility 17.8 mg/L 25 EST
Vapor Pressure 3.86E-11 mm Hg 25 EST
Henry's Law Constant 1.61E-22 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.54E-11 cm3/molecule-sec 25 EST

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