Skip Navigation
ChemIDplus Lite•Browse•Advanced

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
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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

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

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

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.