Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Butabarbital [USP]
RN: 125-40-6
UNII: P0078O25A9
InChIKey: ZRIHAIZYIMGOAB-UHFFFAOYSA-N

Molecular Formula

  • C10-H16-N2-O3

Molecular Weight

  • 212.2474
 

Classification Codes

Classification Codes

  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • Hypnotics and Sedatives
  • Sedative-Hypnotic

Superlist Classification Code

  • DEA Schedule III

Names and Synonyms

Name of Substance

  • Butabarbital
  • Butabarbital [USP]
  • Secbutabarbital
  • Secbutabarbital [INN:BAN]

Synonyms

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylpropyl)-
  • 5-24-09-00162 (Beilstein Handbook Reference)
  • 5-Ethyl-5-(1-methylpropyl)barbiturate
  • 5-Ethyl-5-(1-methylpropyl)barbituric acid
  • 5-sec-Butyl-5-ethylbarbituric acid
  • 5-sec-Butyl-5-ethylmalonyl urea
  • Barbituric acid, 5-sec-butyl-5-ethyl-
  • BRN 0199127
  • Butabarb
  • Butabarbital
  • Butabarbital (VAN)
  • Butabarbitone
  • Butatab
  • Butatal
  • Buticaps
  • Butisol
  • Butobarbitone
  • Butrate
  • EINECS 204-738-6
  • HSDB 3018
  • Medarsed
  • Nilox
  • NSC 27517
  • sec-Butobarbitone
  • Secbubarbital
  • Secbutabarbital
  • Secbutabarbitale
  • Secbutabarbitale [DCIT]
  • Secbutabarbitalum
  • Secbutabarbitalum [INN-Latin]
  • Secbutobarbitone
  • Unicelles
  • UNII-P0078O25A9

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylpropyl)-
  • Barbituric acid, 5-sec-butyl-5-ethyl-
  • Secbutabarbital

Superlist Names

  • Butabarbital
  • DEA No. 2100

Mixture Name

  • Pyridium plus

Registry Numbers

CAS Registry Number

  • 125-40-6

FDA UNII

  • P0078O25A9

Other Registry Number

  • 97164-73-3

System Generated Number

  • 0000125406

Structure Descriptors

InChI

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

InChIKey

ZRIHAIZYIMGOAB-UHFFFAOYSA-N

Smiles

CCC(C)C1(CC)C(=O)NC(=O)NC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 175mg/kg (175mg/kg) BEHAVIORAL: ANTIPSYCHOTIC Archives Internationales de Pharmacodynamie et de Therapie. Vol. 132, Pg. 164, 1961.
rabbit LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932.
rabbit LD50 oral 140mg/kg (140mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932.
rabbit LDLo intravenous 90mg/kg (90mg/kg)   Journal de Physiologie et de Pathologie Generale. Vol. 30, Pg. 364, 1932.
rabbit LDLo subcutaneous 200mg/kg (200mg/kg)   Journal of the American Chemical Society. Vol. 45, Pg. 243, 1923.
rat LD50 intraperitoneal 70mg/kg (70mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 166.5 deg C   EXP
log P (octanol-water) 1.65 (none)   EXP
Water Solubility 1360 mg/L 25 EST
Vapor Pressure 4.99E-11 mm Hg 25 EST
Henry's Law Constant 6.36E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.66E-11 cm3/molecule-sec 25 EST

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