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Substance Name: Etoprine [USAN]
RN: 18588-57-3
UNII: 406PGU9KGI
InChIKey: PXLPCZJACKUXGP-UHFFFAOYSA-N

Classification Codes

  • Antineoplastic
  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C12-H12-Cl2-N4

Molecular Weight

  • 283.1608
 
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Names and Synonyms

Name of Substance

  • Etoprine
  • Etoprine [USAN]

Synonyms

  • 2,4-Diamino-5-(3,4-dichlorophenyl)-6-ethylpyrimidine
  • 5-25-12-00256 (Beilstein Handbook Reference)
  • AI3-25008
  • BRN 0244129
  • DDEP
  • Ethodichlorophen
  • Etoprine
  • NSC 3062
  • UNII-406PGU9KGI

Systematic Names

  • 2,4-Diamino-5-(3',4'-dichlorophenyl)-6-ethylpyrimidine
  • 2,4-Pyrimidinediamine, 5-(3,4-dichlorophenyl)-6-ethyl-
  • Pyrimidine, 2,4-diamino-5-(3,4-dichlorophenyl)-6-ethyl-

Registry Numbers

CAS Registry Number

  • 18588-57-3

FDA UNII

  • 406PGU9KGI

System Generated Number

  • 0018588573

Structure Descriptors

InChI

1S/C12H12Cl2N4/c1-2-9-10(11(15)18-12(16)17-9)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3,(H4,15,16,17,18)

InChIKey

PXLPCZJACKUXGP-UHFFFAOYSA-N

Smiles

CCc1c(c(nc(n1)N)N)c2ccc(c(c2)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 66mg/kg (66mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 6, Pg. 185, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 7.2 (none) 20 EXP
log P (octanol-water) 3.03 (none)   EXP
Water Solubility 39.7 mg/L 25 EST
Vapor Pressure 1.71E-08 mm Hg 25 EST
Henry's Law Constant 7.99E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

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