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Substance Name: Fluorodopan
RN: 834-91-3
InChIKey: ODACNRQBNVVGAI-UHFFFAOYSA-N

Note

  • Russian drug.

Molecular Formula

  • C9-H13-Cl-F-N3-O2

Molecular Weight

  • 249.672
 
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Names and Synonyms

Name of Substance

  • Fluorodopan

Synonyms

  • 5-((2-Chloroethyl)(2-fluoroethyl)amino)-6-methyl-2,4(1H,3H)-pyrimidinedione
  • 5-((2-Chloroethyl)(2-fluoroethyl)amino)-6-methyluracil
  • Fluorodopan
  • Fluoropan
  • Fluorothane
  • Fluorpan
  • Ftordopan
  • Ftorpan
  • NSC 73754
  • Uracil, 5-((2-chloroethyl)-(2-fluoroethyl)amino)-6-methyl-

Systematic Names

  • 2,4(1H,3H)-Pyrimidinedione, 5-((2-chloroethyl)(2-fluoroethyl)amino)-6-methyl- (9CI)
  • 5-((2-Chloroethyl)(2-fluoroethyl)amino)-6-methyluracil
  • Uracil, 5-((2-chloroethyl)(2-fluoroethyl)amino)-6-methyl-

Registry Numbers

CAS Registry Number

  • 834-91-3

System Generated Number

  • 0000834913

Structure Descriptors

InChI

1S/C9H13ClFN3O2/c1-6-7(8(15)13-9(16)12-6)14(4-2-10)5-3-11/h2-5H2,1H3,(H2,12,13,15,16)

InChIKey

ODACNRQBNVVGAI-UHFFFAOYSA-N

Smiles

c1(N(CCF)CCCl)c(nc(O)nc1O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 118mg/kg (118mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 oral 31450ug/kg (31.45mg/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) 0.85 (none)   EXP
Water Solubility 4470 mg/L 25 EST
Vapor Pressure 2.91E-09 mm Hg 25 EST
Henry's Law Constant 3.47E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.50E-11 cm3/molecule-sec 25 EST

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