thiopental
Names
[ CAS No. ]:
76-75-5
[ Name ]:
thiopental
[Synonym ]:
Tiopentale
Thiomebumal
THIOPENTONE
Intraval
EINECS 200-984-3
PENTOTHAL ACID
5-Aethyl-5-(1-methyl-butyl)-2-thio-barbitursaeure
THIOPENTAL
Nesdonal
Thiothal
MFCD00057564
5-ethyl-5-(1-methylbutyl)-2-thiobarbituric acid
5-ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione
Pentothal
Penthiobarbital
(+/-)-THIOPENTAL
Chemical & Physical Properties
[ Density]:
1.16g/cm3
[ Melting Point ]:
158-160°C
[ Molecular Formula ]:
C11H18N2O2S
[ Molecular Weight ]:
242.33800
[ Exact Mass ]:
242.10900
[ PSA ]:
90.29000
[ LogP ]:
2.00750
[ Index of Refraction ]:
1.544
[ Storage condition ]:
2-8°C
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CQ6300000
- CHEMICAL NAME :
- Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-
- CAS REGISTRY NUMBER :
- 76-75-5
- BEILSTEIN REFERENCE NO. :
- 0209361
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 14
- MOLECULAR FORMULA :
- C11-H18-N2-O2-S
- MOLECULAR WEIGHT :
- 242.37
- WISWESSER LINE NOTATION :
- T6VMYMV FHJ CUS FY3&1 F2
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 120 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 110 mg/kg
- TOXIC EFFECTS :
- Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 110 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 70 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 90 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Rectal
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 110 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 74 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 1020 mg/kg
- SEX/DURATION :
- female 1-17 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
MUTATION DATA
- TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Human Leukocyte
- DOSE/DURATION :
- 1500 mg/L
- REFERENCE :
- TGANAK Tsitologiya i Genetika. Cytology and Genetics. For English translation, see CYGEDX. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 18(1),13,1984 *** REVIEWS *** TOXICOLOGY REVIEW CLPTAT Clinical Pharmacology and Therapeutics (St. Louis). (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1960- Volume(issue)/page/year: 8,91,1967 TOXICOLOGY REVIEW PHREA7 Physiological Reviews. (American Physiological Soc., 9650 Rockville Pike, Bethesda, MD 20814) V.1- 1921- Volume(issue)/page/year: 19,472,1939 TOXICOLOGY REVIEW FNSCA6 Forensic Science. (Lausanne, Switzerland) V.1-11, 1972-78. For pub lisher information, see FSINDR. Volume(issue)/page/year: 2,67,1973
Safety Information
[ Symbol ]:
GHS02, GHS06, GHS08
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H225-H301-H311-H331-H370
[ Precautionary Statements ]:
P210-P260-P280-P301 + P310-P311
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
Xn
[ Risk Phrases ]:
22
[ Safety Phrases ]:
S36/37/39
[ RIDADR ]:
UN 1230 3/PG 2
[ WGK Germany ]:
3
[ RTECS ]:
CQ6300000
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1(b)
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Articles
Bioorg. Med. Chem. 17 , 896-904, (2009)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...
Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).J. Med. Chem. 48 , 3269-79, (2005)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...
Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs.Eur. J. Med. Chem. 43 , 478-85, (2008)
Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a cor...