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Substance Name: Barbituric acid, 5-butyl-1-(4-hydroxycyclohexyl)-, benzoate (ester)
RN: 21330-98-3
InChIKey: BOCFDPNAAMHRMT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O5

Molecular Weight

  • 386.445
 
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Names and Synonyms

Synonyms

  • 1-(4-Benzoyloxycyclohexyl)-5-butylperhydropyrimidine-2,4,5-trione
  • 5-24-09-00133 (Beilstein Handbook Reference)
  • 5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid benzoate (ester)
  • BRN 0719798

Systematic Name

  • Barbituric acid, 5-butyl-1-(4-hydroxycyclohexyl)-, benzoate (ester)

Registry Numbers

CAS Registry Number

  • 21330-98-3

System Generated Number

  • 0021330983

Structure Descriptors

InChI

1S/C21H26N2O5/c1-2-3-9-17-18(24)22-21(27)23(19(17)25)15-10-12-16(13-11-15)28-20(26)14-7-5-4-6-8-14/h4-8,15-17H,2-3,9-13H2,1H3,(H,22,24,27)

InChIKey

BOCFDPNAAMHRMT-UHFFFAOYSA-N

Smiles

N1(C2CCC(OC(c3ccccc3)=O)CC2)C([C@@H](C(=O)NC1=O)CCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2500mg/kg (2500mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 254, 1969.