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Substance Name: Barbituric acid, 5-methyl-5-(3-methyl-2-butenyl)-
RN: 66843-01-4
InChIKey: CVWHRDJDXCEZGH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N2-O3

Molecular Weight

  • 210.2316
 
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Names and Synonyms

Synonyms

  • 4-24-00-01987 (Beilstein Handbook Reference)
  • 5-Methyl-5-(3-methyl-2-butenyl)barbituric acid
  • Acide 5-(gamma,gamma-dimethyl-allyl) 5-methyl barbiturique
  • Acide 5-(gamma,gamma-dimethyl-allyl) 5-methyl barbiturique [French]
  • BRN 0173984

Systematic Name

  • Barbituric acid, 5-methyl-5-(3-methyl-2-butenyl)-

Registry Numbers

CAS Registry Number

  • 66843-01-4

System Generated Number

  • 0066843014

Structure Descriptors

InChI

1S/C10H14N2O3/c1-6(2)4-5-10(3)7(13)11-9(15)12-8(10)14/h4H,5H2,1-3H3,(H2,11,12,13,14,15)

InChIKey

CVWHRDJDXCEZGH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: SLEEP
Annales Pharmaceutiques Francaises. Vol. 9, Pg. 283, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.17 (none)   EXP
Water Solubility 3880 mg/L 25 EST
Vapor Pressure 2.94E-11 mm Hg 25 EST
Henry's Law Constant 6.60E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.33E-11 cm3/molecule-sec 25 EST

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