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Substance Name: Barbituric acid, 5-(1-methylbutyl)-
RN: 83-29-4
InChIKey: QSELDKYOARDOCZ-UHFFFAOYSA-N

Molecular Formula

  • C9-H14-N2-O3

Molecular Weight

  • 198.221
 
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Names and Synonyms

Synonyms

  • 5-(1-Methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-(1-Methylbutyl)barbituric acid
  • 5-(sec-Pentyl)barbituric acid
  • 5-24-09-00156 (Beilstein Handbook Reference)
  • BRN 0187936
  • EINECS 201-465-4
  • NSC 92501

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)- (9CI)
  • 5-(sec-Pentyl)barbituric acid
  • Barbituric acid, 5-(1-methylbutyl)-
  • Barbituric acid, 5-(1-methylbutyl)- (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 83-29-4

System Generated Number

  • 0000083294

Structure Descriptors

InChI

1S/C9H14N2O3/c1-3-4-5(2)6-7(12)10-9(14)11-8(6)13/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13,14)

InChIKey

QSELDKYOARDOCZ-UHFFFAOYSA-N

Smiles

N1C(C([C@@H](CCC)C)C(NC1=O)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04623,