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Substance Name: Barbituric acid, 1-(4-hydroxycyclohexyl)-5-pentyl-, acetate (ester)
RN: 4394-22-3
InChIKey: TVOSRCWHNOKHEY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-N2-O5

Molecular Weight

  • 338.401
 
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Names and Synonyms

Synonyms

  • 1-(4-Hydroxycyclohexyl)-5-pentylbarbituric acid acetate (ester)
  • 5-24-09-00156 (Beilstein Handbook Reference)
  • BRN 0708743

Systematic Name

  • Barbituric acid, 1-(4-hydroxycyclohexyl)-5-pentyl-, acetate (ester)

Registry Numbers

CAS Registry Number

  • 4394-22-3

System Generated Number

  • 0004394223

Structure Descriptors

InChI

1S/C17H26N2O5/c1-3-4-5-6-14-15(21)18-17(23)19(16(14)22)12-7-9-13(10-8-12)24-11(2)20/h12-14H,3-10H2,1-2H3,(H,18,21,23)

InChIKey

TVOSRCWHNOKHEY-UHFFFAOYSA-N

Smiles

C1(NC([C@@H](C(N1C1CCC(CC1)OC(=O)C)=O)CCCCC)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1650mg/kg (1650mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 254, 1969.