Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-
RN: 58845-59-3
InChIKey: QMJJEUBKQJZIGH-YVECIDJPSA-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

Synonyms

  • ICIG 1164
  • N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)urea
  • NSC 245431
  • X-Pcnu

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 58845-59-3

System Generated Number

  • 0058845593

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-YVECIDJPSA-N

Smiles

O1C[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1NC(=O)N(N=O)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/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) 1.05 (none)   EXP
Water Solubility 338 mg/L 25 EST
Vapor Pressure 1.41E-09 mm Hg 25 EST
Henry's Law Constant 4.16E-20 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.37E-11 cm3/molecule-sec 25 EST

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