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Substance Name: Barbituric acid, 5-isobutyryloxy-5-(1-phenethyl)-
RN: 37431-39-3
InChIKey: IOBTZSDTPDLZMK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-N2-O5

Molecular Weight

  • 318.3272
 
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Names and Synonyms

Synonyms

  • 5-25-03-00337 (Beilstein Handbook Reference)
  • 5-Isobutyryloxy-5-(1-phenylethyl)barbituric acid
  • BRN 0763643
  • Propanoic acid, 2-methyl-, hexahydro-2,4,6-trioxo-5-(1-phenylethyl)-5-pyrimidinyl ester

Systematic Name

  • Barbituric acid, 5-isobutyryloxy-5-(1-phenethyl)-

Registry Numbers

CAS Registry Number

  • 37431-39-3

System Generated Number

  • 0037431393

Structure Descriptors

InChI

1S/C16H18N2O5/c1-9(2)12(19)23-16(10(3)11-7-5-4-6-8-11)13(20)17-15(22)18-14(16)21/h4-10H,1-3H3,(H2,17,18,20,21,22)

InChIKey

IOBTZSDTPDLZMK-UHFFFAOYSA-N

Smiles

CC(C)C(=O)OC1(C(=O)NC(=O)NC1=O)C(C)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 1194, 1974.