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Substance Name: Barbituric acid, 1,3-bis((docecyloxy)methyl)-5-ethyl-5-phenyl-
RN: 27506-77-0
InChIKey: BVDBOFQGOCRDII-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H64-N2-O5

Molecular Weight

  • 628.933
 
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Names and Synonyms

Synonyms

  • 1,3-Bis((dodecyloxy)methyl)-5-ethyl-5-phenylbarbituric acid
  • 1,3-Dilauryloxymethyl-5-ethyl-5-phenylbarbituric acid
  • 5-24-09-00292 (Beilstein Handbook Reference)
  • BRN 0598515
  • N,N'-Dilauryloxymethyl phenobarbital

Systematic Name

  • Barbituric acid, 1,3-bis((docecyloxy)methyl)-5-ethyl-5-phenyl-

Registry Numbers

CAS Registry Number

  • 27506-77-0

System Generated Number

  • 0027506770

Structure Descriptors

InChI

1S/C38H64N2O5/c1-4-7-9-11-13-15-17-19-21-26-30-44-32-39-35(41)38(6-3,34-28-24-23-25-29-34)36(42)40(37(39)43)33-45-31-27-22-20-18-16-14-12-10-8-5-2/h23-25,28-29H,4-22,26-27,30-33H2,1-3H3

InChIKey

BVDBOFQGOCRDII-UHFFFAOYSA-N

Smiles

C1(N(C(C(C(N1COCCCCCCCCCCCC)=O)(c1ccccc1)CC)=O)COCCCCCCCCCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 187, 1971.