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Substance Name: Barbituric acid, 5-isopentyl-5-methyl-
RN: 67051-30-3
InChIKey: RGFAQSMJEZWLDS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H16-N2-O3

Molecular Weight

  • 212.2474
 
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Names and Synonyms

Synonyms

  • 4-24-00-01938 (Beilstein Handbook Reference)
  • 5-Isopentyl-5-methylbarbituric acid
  • BRN 0201783

Systematic Name

  • Barbituric acid, 5-isopentyl-5-methyl-

Registry Numbers

CAS Registry Number

  • 67051-30-3

System Generated Number

  • 0067051303

Structure Descriptors

InChI

1S/C10H16N2O3/c1-6(2)4-5-10(3)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)

InChIKey

RGFAQSMJEZWLDS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 1500mg/kg (1500mg/kg)   Journal of the American Chemical Society. Vol. 58, Pg. 1358, 1936.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.510 (none)   EST
Water Solubility 800 mg/L 15 EXP
Atmospheric OH Rate Constant 1.11E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.