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Substance Name: Dopan
RN: 520-09-2
UNII: 1LY7UH1WUT
InChIKey: SDTHIDMOBRXVOQ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C9-H13-Cl2-N3-O2

Molecular Weight

  • 266.1267
 
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Names and Synonyms

Name of Substance

  • Chloroethylaminouracil
  • Dopan

Synonyms

  • 2,6-Dihydroxy-4-methyl-5-bis(2-chloroethyl)aminopyrimidine
  • 4-Methyl-5-(bis(beta-chloroethyl)amino)uracil
  • 5-(Bis(2-chloroethyl)amino)-6-methyluracil
  • 5-(Bis-(2-cloroetil)-amino)-6-metiluracile
  • 5-(Bis-(2-cloroetil)-amino)-6-metiluracile [Italian]
  • 6-Methyl-5-(bis(2-chloroethyl)amino)uracil
  • AI3-50698
  • Chloroethylaminouracil
  • Dopan
  • Dopane
  • Elderfield pyrimidine mustard
  • ENT 50698
  • NSC 44629
  • UNII-1LY7UH1WUT

Systematic Names

  • 2,4(1H,3H)-Pyrimidinedione, 5-(bis(2-chloroethyl)amino)-6-methyl-
  • Uracil, 5-(bis(2-chloroethyl)amino)-6-methyl- (VAN) (8CI)
  • Uracil, 5-(bis-(2-chloroethyl)amino)-6-methyl-

Registry Numbers

CAS Registry Number

  • 520-09-2

FDA UNII

  • 1LY7UH1WUT

System Generated Number

  • 0000520092

Structure Descriptors

InChI

1S/C9H13Cl2N3O2/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

SDTHIDMOBRXVOQ-UHFFFAOYSA-N

Smiles

Cc1c(c(=O)[nH]c(=O)[nH]1)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 3mg/kg (3mg/kg)   Farmakologiya i Toksikologiya Vol. 34, Pg. 83, 1971.
rat LD50 oral 2400ug/kg (2.4mg/kg)   Bollettino Chimico Farmaceutico. Vol. 101, Pg. 630, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.180 (none)   EST
Atmospheric OH Rate Constant 2.31E-11 cm3/molecule-sec 25 EST

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