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Substance Name: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((acetyloxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)-
RN: 37431-43-9
InChIKey: LTBWEGNSTWPSDA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N2-O9

Molecular Weight

  • 448.4256
 
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Names and Synonyms

Synonyms

  • 1,3-Bis((acetyloxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid
  • BRN 0772173

Systematic Name

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((acetyloxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)-

Registry Numbers

CAS Registry Number

  • 37431-43-9

System Generated Number

  • 0037431439

Structure Descriptors

InChI

1S/C21H24N2O9/c1-5-17(26)32-21(13(2)16-9-7-6-8-10-16)18(27)22(11-30-14(3)24)20(29)23(19(21)28)12-31-15(4)25/h6-10,13H,5,11-12H2,1-4H3

InChIKey

LTBWEGNSTWPSDA-UHFFFAOYSA-N

Smiles

CCC(=O)OC1(C(=O)N(C(=O)N(C1=O)COC(=O)C)COC(=O)C)C(C)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Medicinal Chemistry. Vol. 18, Pg. 694, 1975.