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Substance Name: Barbituric acid, 5-(1-methyl-1-butenyl)-5-propyl-
RN: 6966-40-1
InChIKey: XVDVHWJHDXRAST-VURMDHGXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-O3

Molecular Weight

  • 238.2852
 
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Names and Synonyms

Synonyms

  • 4-24-00-02017 (Beilstein Handbook Reference)
  • 5-(1-Methyl-1-butenyl)-5-propylbarbituric acid
  • BRN 0225716
  • NSC 18781

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methyl-1-butenyl)-5-propyl- (9CI)
  • Barbituric acid, 5-(1-methyl-1-butenyl)-5-propyl-

Registry Numbers

CAS Registry Number

  • 6966-40-1

System Generated Number

  • 0006966401

Structure Descriptors

InChI

1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h6H,4-5,7H2,1-3H3,(H2,13,14,15,16,17)/b8-6-

InChIKey

XVDVHWJHDXRAST-VURMDHGXSA-N

Smiles

CCCC1(\C(=C/CC)\C)C(=O)NC(=O)NC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 270mg/kg (270mg/kg)   Journal of the American Chemical Society. Vol. 61, Pg. 776, 1939.
mouse LD50 oral 320mg/kg (320mg/kg)   Journal of the American Chemical Society. Vol. 61, Pg. 776, 1939.