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Substance Name: Narcobarbital
RN: 125-55-3
UNII: A77U8G9H84
InChIKey: WGMASVSHOSNKMF-UHFFFAOYSA-N

Molecular Formula

  • C11-H15-Br-N2-O3

Molecular Weight

  • 303.1545
 
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Names and Synonyms

Results Name

  • Narcobarbital

Name of Substance

  • Narcobarbital
  • Pronarcon

Synonyms

  • 1-Methyl-5-isopropyl-5-(2-bromoallyl)barbituric acid
  • 5-(2-Bromallyl)-5-isopropyl-1-methylbarbitursaeure
  • 5-(2-Bromoallyl)-1-methyl-5-isopropylbarbituric acid
  • 5-(2-Bromoallyl)-5-isopropyl-1-methylbarbituric acid
  • Enibomal
  • Narcobarbital
  • Narcodorm
  • Narcotal
  • Narcovene
  • Narcovene S
  • Narkotal
  • Pronarkon
  • UNII-A77U8G9H84

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-1-methyl-5-(1-methylethyl)-
  • Barbituric acid, 5-(2-bromoallyl)-5-isopropyl-1-methyl-

Registry Numbers

CAS Registry Number

  • 125-55-3

FDA UNII

  • A77U8G9H84

Other Registry Number

  • 5992-36-9

Related Registry Number

  • 3329-16-6 (hydrochloride salt)

System Generated Number

  • 0000125553

Structure Descriptors

InChI

1S/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)

InChIKey

WGMASVSHOSNKMF-UHFFFAOYSA-N

Smiles

CC(C)C1(CC(=C)Br)C(=O)NC(=O)N(C)C1=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 115 deg C   EXP
log P (octanol-water) 2.11 (none)   EXP
Water Solubility 186 mg/L 25 EST
Vapor Pressure 2.03E-11 mm Hg 25 EST
Henry's Law Constant 2.07E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.75E-11 cm3/molecule-sec 25 EST

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