Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-ribopyranosyl)-
RN: 54138-85-1
InChIKey: QMJJEUBKQJZIGH-FDYHWXHSSA-N

Molecular Formula

  • C14-H20-Cl-N3-O9

Molecular Weight

  • 409.777
 
* 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

Synonym

  • N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-ribopyranosyl)urea

Systematic Name

  • Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-ribopyranosyl)-

Registry Numbers

CAS Registry Number

  • 54138-85-1

System Generated Number

  • 0054138851

Structure Descriptors

InChI

1S/C14H20ClN3O9/c1-7(19)25-10-6-24-13(16-14(22)18(17-23)5-4-15)12(27-9(3)21)11(10)26-8(2)20/h10-13H,4-6H2,1-3H3,(H,16,22)/t10-,11-,12-,13-/m1/s1

InChIKey

QMJJEUBKQJZIGH-FDYHWXHSSA-N

Smiles

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)N(CCCl)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 397, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.13 (none)   EXP
Water Solubility 353 mg/L 25 EST
Vapor Pressure 3.38E-09 mm Hg 25 EST
Henry's Law Constant 3.14E-20 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.34E-11 cm3/molecule-sec 25 EST

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