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Substance Name: 5-Ethyl-5-(1,3-dimethylbutyl)-5-barbituric acid
RN: 2964-06-9
UNII: 31E1HC8I46
InChIKey: KXHLANWWTKSOMW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-N2-O3

Molecular Weight

  • 240.301
 
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Names and Synonyms

Name of Substance

  • 5-Ethyl-5-(1,3-dimethylbutyl)-5-barbituric acid

Synonyms

  • 5-(1,3-Dimethylbutyl)-5-ethylbarbituric acid
  • 5-Ethyl-5-(1,3-dimethylbutyl)barbituric acid
  • Diberal
  • Dmbeb
  • NSC 31256
  • UNII-31E1HC8I46

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 2964-06-9

FDA UNII

  • 31E1HC8I46

Related Registry Number

  • 6592-90-1 (mono-hydrochloride salt)

System Generated Number

  • 0002964069

Structure Descriptors

InChI

1S/C12H20N2O3/c1-5-12(8(4)6-7(2)3)9(15)13-11(17)14-10(12)16/h7-8H,5-6H2,1-4H3,(H2,13,14,15,16,17)

InChIKey

KXHLANWWTKSOMW-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 2500ug/kg (2.5mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 31, 1959.
dog LD50 oral 10mg/kg (10mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 31, 1959.
mouse LD50 intraperitoneal 17mg/kg (17mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 31, 1959.
mouse LD50 oral 70mg/kg (70mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 31, 1959.
rabbit LDLo intravenous 7mg/kg (7mg/kg)   Journal of the American Chemical Society. Vol. 58, Pg. 1354, 1936.
rat LD50 oral 75mg/kg (75mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 31, 1959.