Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Acetic acid, (4-(3-(2-chloroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)-
RN: 61137-49-3
InChIKey: GSUNXHODQPCMLL-XYPYZODXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-Cl-N3-O4

Molecular Weight

  • 305.76
 
* 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

  • BRN 3000330
  • NSC 166549
  • trans-1-(2-Chloroethyl)-3-(4-hydroxycyclohexylmethyl)-1-nitrosourea acetate
  • Urea, 1-(2-chloroethyl)-3-(4-hydroxycyclohexylmethyl)-1-nitroso-, acetate (E)-

Systematic Names

  • Acetic acid, (4-(3-(2-chloroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)-
  • Urea, N'-(4-((acetyloxy)methyl)cyclohexyl)-N-(2-chloroethyl)-N-nitroso-, trans- (9CI)

Registry Numbers

CAS Registry Number

  • 61137-49-3

System Generated Number

  • 0061137493

Structure Descriptors

InChI

1S/C12H20ClN3O4/c1-9(17)20-8-10-2-4-11(5-3-10)14-12(18)16(15-19)7-6-13/h10-11H,2-8H2,1H3,(H,14,18)/t10-,11-

InChIKey

GSUNXHODQPCMLL-XYPYZODXSA-N

Smiles

CC(=O)OC[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 54mg/kg (54mg/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) 2.24 (none)   EXP
Water Solubility 139 mg/L 25 EST
Vapor Pressure 1.42E-07 mm Hg 25 EST
Henry's Law Constant 5.85E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.60E-11 cm3/molecule-sec 25 EST

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