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Substance Name: Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl-2-thio-
RN: 66940-63-4
InChIKey: VZZNHZKGDVXKML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N2-O2-S

Molecular Weight

  • 266.363
 
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Names and Synonyms

Synonyms

  • 4-24-00-02058 (Beilstein Handbook Reference)
  • 5-(2-Cyclopentenyl)-5-isobutyl-2-thiobarbituric acid
  • BRN 0270980

Systematic Name

  • Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl-2-thio-

Registry Numbers

CAS Registry Number

  • 66940-63-4

System Generated Number

  • 0066940634

Structure Descriptors

InChI

1S/C13H18N2O2S/c1-8(2)7-13(9-5-3-4-6-9)10(16)14-12(18)15-11(13)17/h3,5,8-9H,4,6-7H2,1-2H3,(H2,14,15,16,17,18)

InChIKey

VZZNHZKGDVXKML-UHFFFAOYSA-N

Smiles

C1([C@@H]2CCC=C2)(C(NC(=S)NC1=O)=O)CC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of the American Chemical Society. Vol. 65, Pg. 2091, 1943.