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Substance Name: Barbituric acid, 5-ethyl-3-(2-isothioureidomethyl)-1-methyl-5-phenyl-, hydrobromide
RN: 64038-18-2
InChIKey: RGSYJUYJLNPLFR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N4-O3-S.Br-H

Molecular Weight

  • 415.31
 
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Names and Synonyms

Synonyms

  • 3-(2-Isothioureidomethyl)-1-methylphenobarbital hydrobromide
  • 5-Ethyl-3-(2-isothioureidomethyl)-1-methyl-5-phenylbarbituric acid hydrobromide

Systematic Name

  • Barbituric acid, 5-ethyl-3-(2-isothioureidomethyl)-1-methyl-5-phenyl-, hydrobromide

Registry Numbers

CAS Registry Number

  • 64038-18-2

System Generated Number

  • 0064038182

Molecular Formulas

Molecular Formula

  • C15-H18-N4-O3-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C15-H18-N4-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C15H18N4O3S.BrH/c1-3-15(10-7-5-4-6-8-10)11(20)18(2)14(22)19(12(15)21)9-17-13(16)23;/h4-8H,3,9H2,1-2H3,(H3,16,17,23);1H

InChIKey

RGSYJUYJLNPLFR-UHFFFAOYSA-N

Smiles

N1(C(N(C)C([C@@](C1=O)(c1ccccc1)CC)=O)=O)CNC(=S)N.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 602, 1973.