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Substance Name: Carbamimidothioic acid, phenyl-, (5-ethyldihydro-2,4,6-trioxo-5-phenyl-1,3(2H,4H)-pyrimidinediyl)bis(methylene)ester, dihydrobromide
RN: 50309-48-3
InChIKey: CTMPELUTKHGEDL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H28-N6-O3-S2.2Br-H

Molecular Weight

  • 722.524
 
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Names and Synonyms

Synonym

  • 1,3-Bis(N-phenyl-2-isothioureidomethyl)-5-ethyl-5-phenylbarbituric acid dihydrobromide

Systematic Name

  • Carbamimidothioic acid, phenyl-, (5-ethyldihydro-2,4,6-trioxo-5-phenyl-1,3(2H,4H)-pyrimidinediyl)bis(methylene)ester, dihydrobromide

Registry Numbers

CAS Registry Number

  • 50309-48-3

System Generated Number

  • 0050309483

Molecular Formulas

Molecular Formula

  • C28-H28-N6-O3-S2.2Br-H

Molecular Formula Fragments

  • Br-H
  • C28-H28-N6-O3-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C28H28N6O3S2.2BrH/c1-2-28(20-12-6-3-7-13-20)23(35)33(18-38-25(29)31-21-14-8-4-9-15-21)27(37)34(24(28)36)19-39-26(30)32-22-16-10-5-11-17-22;;/h3-17H,2,18-19H2,1H3,(H2,29,31)(H2,30,32);2*1H

InChIKey

CTMPELUTKHGEDL-UHFFFAOYSA-N

Smiles

C1(N(C(C(C(=O)N1CSC(Nc1ccccc1)=N)(c1ccccc1)CC)=O)CSC(Nc1ccccc1)=N)=O.Br.Br

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.