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Substance Name: Urea, 1,1'-tetramethylenebis(3-(2-chloroethyl)-3-nitroso-
RN: 60784-43-2
InChIKey: PQJLRURZNPVKLU-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C10-H18-Cl2-N6-O4

Molecular Weight

  • 357.196
 
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Names and Synonyms

Synonyms

  • 1,1'-Tetramethylenebis(3-(2-chloroethyl)-3-nitrosourea)
  • BRN 2020591

Systematic Name

  • Urea, 1,1'-tetramethylenebis(3-(2-chloroethyl)-3-nitroso-

Registry Numbers

CAS Registry Number

  • 60784-43-2

System Generated Number

  • 0060784432

Structure Descriptors

InChI

1S/C10H18Cl2N6O4/c11-3-7-17(15-21)9(19)13-5-1-2-6-14-10(20)18(16-22)8-4-12/h1-8H2,(H,13,19)(H,14,20)

InChIKey

PQJLRURZNPVKLU-UHFFFAOYSA-N

Smiles

N(C(=O)NCCCCNC(N(N=O)CCCl)=O)(N=O)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported > 1gm/kg (1000mg/kg)   Revue Roumaine de Biochimie. Vol. 18, Pg. 175, 1981.
rat LD50 intraperitoneal 46mg/kg (46mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"

BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
European Journal of Cancer. Vol. 13, Pg. 937, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.9 (none)   EXP
Water Solubility 955 mg/L 25 EST
Vapor Pressure 2.30E-10 mm Hg 25 EST
Henry's Law Constant 2.08E-22 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.79E-11 cm3/molecule-sec 25 EST

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