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Substance Name: Barbituric acid, 5-ethyl-1-(morpholinomethyl)-5-phenyl- (8CI)
RN: 18009-29-5
InChIKey: FOEQHWOACOYFPK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N3-O4.C2-H6-O

Molecular Weight

  • 331.3699
 
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Names and Synonyms

Synonyms

  • 1-(Morpholinomethyl)phenobarbital alcoholate
  • 1-Morpholinomethylphenobarbital
  • 5-Ethyl-1-(morpholinomethyl)-5-phenylbarbituric acid ethanolate

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-(4-morpholinylmethyl)-5-phenyl- (9CI)
  • Barbituric acid, 5-ethyl-1-(morpholinomethyl)-5-phenyl- (8CI)
  • Barbituric acid, 5-ethyl-1-(morpholinomethyl)-5-phenyl-, ethanolate

Registry Numbers

CAS Registry Number

  • 18009-29-5

System Generated Number

  • 0018009295

Molecular Formulas

Molecular Formula

  • C17-H21-N3-O4.C2-H6-O

Molecular Formula Fragments

  • C17-H21-N3-O4
  • C2-H6-O
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21N3O4/c1-2-17(13-6-4-3-5-7-13)14(21)18-16(23)20(15(17)22)12-19-8-10-24-11-9-19/h3-7H,2,8-12H2,1H3,(H,18,21,23)

InChIKey

FOEQHWOACOYFPK-UHFFFAOYSA-N

Smiles

CCC1(C(=O)NC(=O)N(CN2CCOCC2)C1=O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 602, 1973.