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Substance Name: Barbituric acid, 5-allyl-5-(2-cyclopentenyl)-2-thio-
RN: 66941-60-4
InChIKey: QCARJOPGJNPBPJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-N2-O2-S

Molecular Weight

  • 250.321
 
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Names and Synonyms

Synonyms

  • 4-24-00-02066 (Beilstein Handbook Reference)
  • 5-Allyl-5-(2-cyclopentenyl)-2-thiobarbituric acid
  • BRN 0234281

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66941-60-4

System Generated Number

  • 0066941604

Structure Descriptors

InChI

1S/C12H14N2O2S/c1-2-7-12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h2-3,5,8H,1,4,6-7H2,(H2,13,14,15,16,17)

InChIKey

QCARJOPGJNPBPJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of the American Chemical Society. Vol. 65, Pg. 2091, 1943.
rat LD50 intravenous 100mg/kg (100mg/kg)   Journal of the American Chemical Society. Vol. 65, Pg. 2091, 1943.