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Substance Name: Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)-
RN: 66968-90-9
InChIKey: QAMTVHWKBPAGTG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H13-N3-O5

Molecular Weight

  • 243.2177
 
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Names and Synonyms

Synonyms

  • 4-24-00-01936 (Beilstein Handbook Reference)
  • 5-Ethyl-5-(1-methyl-1-nitroethyl)barbituric acid
  • BRN 0263070

Systematic Name

  • Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)-

Registry Numbers

CAS Registry Number

  • 66968-90-9

System Generated Number

  • 0066968909

Structure Descriptors

InChI

1S/C9H13N3O5/c1-4-9(8(2,3)12(16)17)5(13)10-7(15)11-6(9)14/h4H2,1-3H3,(H2,10,11,13,14,15)

InChIKey

QAMTVHWKBPAGTG-UHFFFAOYSA-N

Smiles

CCC1(C(=O)NC(=O)NC1=O)C(C)(C)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 360mg/kg (360mg/kg)   Journal of the American Chemical Society. Vol. 72, Pg. 5771, 1950.
mouse LD50 oral 490mg/kg (490mg/kg)   Journal of the American Chemical Society. Vol. 72, Pg. 5771, 1950.