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Substance Name: 4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 6-methyl-4-oxo-, ethyl ester
RN: 16867-53-1
InChIKey: ZLYHSYOPYSDSHB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-N2-O3

Molecular Weight

  • 232.238
 
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Names and Synonyms

Synonyms

  • 6-Methyl-4-oxo-4H-pyrido(1,2-a)pyrimidine-3-carboxylic acid ethyl ester
  • BRN 0749725
  • MZ-104

Systematic Name

  • 4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 6-methyl-4-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 16867-53-1

System Generated Number

  • 0016867531

Structure Descriptors

InChI

1S/C12H12N2O3/c1-3-17-12(16)9-7-13-10-6-4-5-8(2)14(10)11(9)15/h4-7H,3H2,1-2H3

InChIKey

ZLYHSYOPYSDSHB-UHFFFAOYSA-N

Smiles

c1c(C)n2c(=O)c(C(=O)OCC)cnc2cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 269mg/kg (269mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 717, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.96 (none)   EXP
Water Solubility 4480 mg/L 25 EST
Vapor Pressure 1.93E-06 mm Hg 25 EST
Henry's Law Constant 4.66E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.28E-10 cm3/molecule-sec 25 EST

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