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Substance Name: Dulcerozine
RN: 18694-42-3
InChIKey: KIJMVZOSUXIDEI-UHFFFAOYSA-N

Note

  • Induces ulcers.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-N4-O2

Molecular Weight

  • 220.231
 
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Names and Synonyms

Name of Substance

  • Dulcerozine

Synonyms

  • 1-(6-Methoxy-4-pyrimidinyl)-3-methyl-5-methoxypyrazole
  • 4-Methoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine
  • 5-25-18-00006 (Beilstein Handbook Reference)
  • BRN 0795306
  • Dulcerozine

Systematic Names

  • Pyrimidine, 4-methoxy-6-(5-methoxy-3-methyl-1H-pyrazol-1-yl)- (9CI)
  • Pyrimidine, 4-methoxy-6-(5-methoxy-3-methylpyrazol-1-yl)-

Registry Numbers

CAS Registry Number

  • 18694-42-3

System Generated Number

  • 0018694423

Structure Descriptors

InChI

1S/C10H12N4O2/c1-7-4-10(16-3)14(13-7)8-5-9(15-2)12-6-11-8/h4-6H,1-3H3

InChIKey

KIJMVZOSUXIDEI-UHFFFAOYSA-N

Smiles

n1cnc(OC)cc1n1nc(C)cc1OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 620mg/kg (620mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 17, Pg. 1492, 1969.
mouse LD50 oral 1450mg/kg (1450mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 17, Pg. 1492, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.53 (none)   EXP
Water Solubility 1690 mg/L 25 EST
Vapor Pressure 1.49E-05 mm Hg 25 EST
Henry's Law Constant 2.56E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.02E-10 cm3/molecule-sec 25 EST

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