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Substance Name: Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid
RN: 21330-96-1
InChIKey: XEMOGWRUSUEBDA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H28-N2-O5

Molecular Weight

  • 352.428
 
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Names and Synonyms

Synonyms

  • 5-24-09-00133 (Beilstein Handbook Reference)
  • 5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid butyrate
  • BRN 0713047

Systematic Name

  • Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid

Registry Numbers

CAS Registry Number

  • 21330-96-1

System Generated Number

  • 0021330961

Structure Descriptors

InChI

1S/C18H28N2O5/c1-3-5-7-14-16(22)19-18(24)20(17(14)23)12-8-10-13(11-9-12)25-15(21)6-4-2/h12-14H,3-11H2,1-2H3,(H,19,22,24)

InChIKey

XEMOGWRUSUEBDA-UHFFFAOYSA-N

Smiles

N1(C2CCC(OC(CCC)=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 5500mg/kg (5500mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 254, 1969.