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Substance Name: Barbituric acid, 1-((amidinothio)methyl)-5-ethyl-3-methyl-5-phenyl-, monohydrobromide
RN: 50309-49-4
InChIKey: STTJKXFCOVTECQ-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

  • 1-((Amidinothio)methyl)-5-ethyl-3-methyl-5-phenylbarbituric acid monohydrobromide
  • 1-Methyl-3-(2-isothioureidomethyl)phenobarbital hydrobromide

Systematic Name

  • Barbituric acid, 1-((amidinothio)methyl)-5-ethyl-3-methyl-5-phenyl-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 50309-49-4

System Generated Number

  • 0050309494

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)9-23-13(16)17;/h4-8H,3,9H2,1-2H3,(H3,16,17);1H

InChIKey

STTJKXFCOVTECQ-UHFFFAOYSA-N

Smiles

c1([C@@]2(C(N(C(=O)N(C2=O)C)CSC(N)=N)=O)CC)ccccc1.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.