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Substance Name: Urea, N'-bicyclo(2.2.1)hept-2-yl-N-(2-chloroethyl)-N-nitroso- (9CI)
RN: 13909-13-2
InChIKey: VGFFLHYAQABHTR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H16-Cl-N3-O2

Molecular Weight

  • 245.708
 
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Names and Synonyms

Synonyms

  • 1-(2-Chloroethyl)-1-nitroso-3-(2-norbornyl)urea
  • AI3-52784
  • BRN 2860913
  • N'-Bicyclo(2.2.1)hept-2-yl-N-(2-chloroethyl)-N-nitrosourea
  • NSC-88106
  • SRI 2638
  • Urea, 1-(2-chloroethyl)-3-(2-norbornyl)-1-nitroso-

Systematic Names

  • Urea, 1-(2-chloroethyl)-1-nitroso-3-(2-norbornyl)-
  • Urea, N'-bicyclo(2.2.1)hept-2-yl-N-(2-chloroethyl)-N-nitroso- (9CI)

Registry Numbers

CAS Registry Number

  • 13909-13-2

System Generated Number

  • 0013909132

Structure Descriptors

InChI

1S/C10H16ClN3O2/c11-3-4-14(13-16)10(15)12-9-6-7-1-2-8(9)5-7/h7-9H,1-6H2,(H,12,15)

InChIKey

VGFFLHYAQABHTR-UHFFFAOYSA-N

Smiles

C(N(N=O)CCCl)(N[C@@H]1[C@@H]2C[C@@H](C1)CC2)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 54760ug/kg (54.76mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 oral 56mg/kg (56mg/kg)   Progress Report Submitted to the National Cancer Institute by Mason Research Institute. Vol. -, Pg. 372, 1968.
rat LD50 oral 83mg/kg (83mg/kg) LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED" Progress Report Submitted to the National Cancer Institute by Mason Research Institute. Vol. -, Pg. 372, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.98 (none)   EXP
Water Solubility 71.2 mg/L 25 EST
Vapor Pressure 5.00E-06 mm Hg 25 EST
Henry's Law Constant 1.08E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.68E-11 cm3/molecule-sec 25 EST

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