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Substance Name: Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl- (8CI)
RN: 29636-73-5
InChIKey: ODAGYCFGDBXVSS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-Br2-N2-O3

Molecular Weight

  • 418.084
 
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Names and Synonyms

Synonyms

  • 1,3-Bis(bromomethyl)-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 1,3-Bis(bromomethyl)-5-ethyl-5-phenylbarbituric acid
  • BRN 0564992
  • N,N'-Bis(bromomethyl)phenobarbital

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl-
  • Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl- (8CI)

Registry Numbers

CAS Registry Number

  • 29636-73-5

System Generated Number

  • 0029636735

Structure Descriptors

InChI

1S/C14H14Br2N2O3/c1-2-14(10-6-4-3-5-7-10)11(19)17(8-15)13(21)18(9-16)12(14)20/h3-7H,2,8-9H2,1H3

InChIKey

ODAGYCFGDBXVSS-UHFFFAOYSA-N

Smiles

C1(N(C(C(C(N1CBr)=O)(c1ccccc1)CC)=O)CBr)=O

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.