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Substance Name: Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester)
RN: 4394-23-4
InChIKey: KTWAKIZSPUJCDX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N2-O5

Molecular Weight

  • 282.294
 
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Names and Synonyms

Synonyms

  • 1-(4-Hydroxycyclohexyl)-5-methylbarbituric acid acetate (ester)
  • 5-24-09-00118 (Beilstein Handbook Reference)
  • BRN 0895326

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 4394-23-4

System Generated Number

  • 0004394234

Structure Descriptors

InChI

1S/C13H18N2O5/c1-7-11(17)14-13(19)15(12(7)18)9-3-5-10(6-4-9)20-8(2)16/h7,9-10H,3-6H2,1-2H3,(H,14,17,19)

InChIKey

KTWAKIZSPUJCDX-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4500mg/kg (4500mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 254, 1969.