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Substance Name: Thiopental [BAN]
RN: 76-75-5
UNII: JI8Z5M7NA3
InChIKey: IUJDSEJGGMCXSG-UHFFFAOYSA-N

Note

  • A barbiturate that is administered intravenously for the induction of general anesthesia or for the production of complete anesthesia of short duration.

Molecular Formula

  • C11-H18-N2-O2-S

Molecular Weight

  • 242.3412
 

Classification Codes

Classification Codes

  • Anesthetics
  • Anesthetics, General
  • Anesthetics, Intravenous
  • Anticonvulsants
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • GABA Agents
  • GABA Modulators
  • Hypnotics and Sedatives
  • Mutation Data
  • Neurotransmitter Agents
  • Reproductive Effect

Superlist Classification Code

  • DEA Schedule III
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Names and Synonyms

Name of Substance

  • Thiopental
  • Thiopental [BAN]

MeSH Heading

  • Thiopental

Synonyms

  • (+-)-Thiopental
  • 2-Thio-5-ethyl-5-sec-pentylbarbituric acid
  • 5-24-09-00172 (Beilstein Handbook Reference)
  • 5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid
  • BRN 0209361
  • EC 200-984-3
  • EINECS 200-984-3
  • HSDB 7791
  • Intraval
  • Penthiobarbital
  • Pentothiobarbital
  • Thiomebumal
  • Thionembutal
  • Thiopental
  • Thiopentobarbital
  • Thiopentobarbitone
  • Thiopentobarbituric acid
  • Thiopentone
  • Thiothal
  • Tiopentale
  • Tiopentale [Italian]
  • UNII-JI8Z5M7NA3

Systematic Names

  • 4,6,(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo- (9CI)
  • 5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid
  • Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-

Superlist Names

  • DEA No. 2100
  • Thiopental

Registry Numbers

CAS Registry Number

  • 76-75-5

FDA UNII

  • JI8Z5M7NA3

Other Registry Number

  • 59709-53-4

System Generated Number

  • 0000076755

Structure Descriptors

InChI

1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)

InChIKey

IUJDSEJGGMCXSG-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LD50 parenteral 74mg/kg (74mg/kg)   Pharmacology and Toxicology. English translation of FATOAO. Vol. 20, Pg. 569, 1957.
mouse LD50 intraperitoneal 110mg/kg (110mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)		 Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 391, 1960.
mouse LD50 intravenous 70mg/kg (70mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 441, 1954.
mouse LD50 oral 600mg/kg (600mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 1, Pg. 215, 1946.
mouse LD50 parenteral 90mg/kg (90mg/kg)   Pharmacology and Toxicology. English translation of FATOAO. Vol. 20, Pg. 569, 1957.
mouse LD50 subcutaneous 110mg/kg (110mg/kg)   Farmaco. Scienza e Tecnica. Vol. 3, Pg. 269, 1948.
rabbit LDLo oral 600mg/kg (600mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 189, 1937.
rabbit LDLo rectal 110mg/kg (110mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 189, 1937.
rat LD50 intraperitoneal 120mg/kg (120mg/kg)   "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 260, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 7.55 (none)   EXP
log P (octanol-water) 2.85 (none)   EXP
Water Solubility 96 mg/L 25 EST
Vapor Pressure 2.15E-10 mm Hg 25 EST
Henry's Law Constant 6.35E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.70E-11 cm3/molecule-sec 25 EST

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