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Substance Name: Barbituric acid, 5-butyl-1-(4-hydroxycyclohexyl)-, propionate (ester)
RN: 21330-95-0
InChIKey: CEZDTYIUHMGSER-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

  • 5-24-09-00133 (Beilstein Handbook Reference)
  • 5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid propionate (ester)
  • BRN 0708881

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21330-95-0

System Generated Number

  • 0021330950

Structure Descriptors

InChI

1S/C17H26N2O5/c1-3-5-6-13-15(21)18-17(23)19(16(13)22)11-7-9-12(10-8-11)24-14(20)4-2/h11-13H,3-10H2,1-2H3,(H,18,21,23)

InChIKey

CEZDTYIUHMGSER-UHFFFAOYSA-N

Smiles

N1(C2CCC(OC(CC)=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.