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Substance Name: Barbituric acid, 5-(1,3-dimethyl-2-butenyl)-5-ethyl-
RN: 3625-18-1
InChIKey: VELIJARCYHAWJO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-O3

Molecular Weight

  • 238.2852
 
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Names and Synonyms

Synonyms

  • 5-(1,3-Dimethyl-2-butenyl)-5-ethylbarbituric acid
  • McN-481
  • Mcneil 481
  • NSC 42268

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 3625-18-1

System Generated Number

  • 0003625181

Structure Descriptors

InChI

1S/C12H18N2O3/c1-5-12(8(4)6-7(2)3)9(15)13-11(17)14-10(12)16/h6,8H,5H2,1-4H3,(H2,13,14,15,16,17)

InChIKey

VELIJARCYHAWJO-UHFFFAOYSA-N

Smiles

CCC1(C(C)C=C(C)C)C(=O)NC(=O)NC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 2mg/kg (2mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 177, 1972.
dog LDLo intravenous 250ug/kg (0.25mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 177, 1972.
mouse LD50 intraperitoneal 3500ug/kg (3.5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Progress in Medical Chemistry. Vol. 8, Pg. 61, 1971.
mouse LD50 oral 18mg/kg (18mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 177, 1972.
rabbit LDLo intravenous 250ug/kg (0.25mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 177, 1972.