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Substance Name: Barbituric acid, 5-allyl-1,3-bis((benzyloxy)methyl)-5-(1-methylbutyl)-
RN: 31164-83-7
InChIKey: OWXYSYOQOLUBNR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H34-N2-O5

Molecular Weight

  • 478.586
 
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Names and Synonyms

Synonyms

  • 1,3-Dibenzyloxymethyl-5-allyl-5-(2-pentyl)barbituric acid
  • 5-Allyl-1,3-bis((benzyloxy)methyl)-5-(1-methylbutyl)barbituric acid
  • BRN 0770963

Systematic Name

  • Barbituric acid, 5-allyl-1,3-bis((benzyloxy)methyl)-5-(1-methylbutyl)-

Registry Numbers

CAS Registry Number

  • 31164-83-7

System Generated Number

  • 0031164837

Structure Descriptors

InChI

1S/C28H34N2O5/c1-4-12-22(3)28(17-5-2)25(31)29(20-34-18-23-13-8-6-9-14-23)27(33)30(26(28)32)21-35-19-24-15-10-7-11-16-24/h5-11,13-16,22H,2,4,12,17-21H2,1,3H3

InChIKey

OWXYSYOQOLUBNR-UHFFFAOYSA-N

Smiles

C1(N(C(C(C(N1COCc1ccccc1)=O)(CC=C)[C@@H](CCC)C)=O)COCc1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 187, 1971.