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Substance Name: Butalbital [USAN:USP:INN]
RN: 77-26-9
UNII: KHS0AZ4JVK
InChIKey: UZVHFVZFNXBMQJ-UHFFFAOYSA-N

Note

  • Management of butalbital withdrawal can be simplified by using a phenobarbital-loading protocol.

Molecular Formula

  • C11-H16-N2-O3

Molecular Weight

  • 224.258
 

Classification Codes

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data
  • Sedative-Hypnotic

Superlist Classification Code

  • DEA Schedule III
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Names and Synonyms

Name of Substance

  • Butalbital
  • Butalbital [USAN:USP:INN]

Synonyms

  • 5-Allyl-5-(2'-methyl-n-propyl) barbituric acid
  • 5-Allyl-5-isobutylbarbituric acid
  • Alisobumal
  • Alisobumalum
  • Allylbarbital
  • Allylbarbitone
  • Allylbarbituric acid
  • Allylisobutylbarbital
  • Allylisobutylbarbiturate
  • Butalbarbital
  • Butalbital
  • Butalbitale
  • Butalbitale [DCIT]
  • Butalbitalum
  • Butalbitalum [INN-Latin]
  • EINECS 201-017-8
  • HSDB 7853
  • Iso-butylallylbarbituric acid
  • Itobarbital
  • Optalidon
  • Profundal
  • Sandoptal
  • Tetrallobarbital
  • UNII-KHS0AZ4JVK

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propenyl)-
  • 5-Allyl-5-isobutylbarbituric acid
  • Barbituric acid, 5-allyl-5-isobutyl-
  • Butalbital

Superlist Names

  • Butalbital
  • DEA No. 2100

Mixture Names

  • Axotal
  • Fiorinal

Registry Numbers

CAS Registry Number

  • 77-26-9

FDA UNII

  • KHS0AZ4JVK

Related Registry Number

  • 23554-70-3 (mono-hydrochloride salt)

System Generated Number

  • 0000077269

Structure Descriptors

InChI

InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)

InChIKey

UZVHFVZFNXBMQJ-UHFFFAOYSA-N

Smiles

CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 75mg/kg (75mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
child TDLo oral 10mg/kg (10mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: TOXIC PSYCHOSIS

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Sammlung von Vergiftungsfaellen. Vol. 10, Pg. 209A, 1939.
duck LD50 oral 237mg/kg (237mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
pigeon LD50 oral 75mg/kg (75mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
rat LD50 subcutaneous 160mg/kg (160mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 152, Pg. 341, 1930.
women TDLo oral 400mg/kg (400mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Sammlung von Vergiftungsfaellen. Vol. 10, Pg. 181A, 1939.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 138.5 deg C   EXP
log P (octanol-water) 1.870 (none)   EST
Water Solubility 1700 mg/L 25 EXP
Atmospheric OH Rate Constant 3.91E-11 cm3/molecule-sec 25 EST

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