thiopental

Modify Date: 2024-01-04 19:54:09

thiopental Structure
thiopental structure
Common Name thiopental
CAS Number 76-75-5 Molecular Weight 242.33800
Density 1.16g/cm3 Boiling Point N/A
Molecular Formula C11H18N2O2S Melting Point 158-160°C
MSDS Chinese USA Flash Point 51.8 °F
Symbol GHS02 GHS06 GHS08
GHS02, GHS06, GHS08
Signal Word Danger

 Names

Name thiopental
Synonym More Synonyms

 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

 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
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)
Flash Point(F) 51.8 °F
Flash Point(C) 11 °C

 Synthetic Route

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thiopental Structure

thiopental

CAS#:76-75-5

Literature: Journal of the American Chemical Society, , vol. 57, p. 1961 US2876225 , ;

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thiopental Structure

thiopental

CAS#:76-75-5

Literature: Pharmazie, , vol. 46, # 2 p. 103 - 105

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thiopental Structure

thiopental

CAS#:76-75-5

Literature: Yakugaku Zasshi, , vol. 75, p. 891 Chem.Abstr., , p. 4979 US2153731 , ;

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thiopental Structure

thiopental

CAS#:76-75-5

Literature: Yakugaku Zasshi, , vol. 75, p. 891 Chem.Abstr., , p. 4979

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thiopental Structure

thiopental

CAS#:76-75-5

Literature: Yakugaku Zasshi, , vol. 75, p. 891 Chem.Abstr., , p. 4979

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thiopental Structure

thiopental

CAS#:76-75-5

Literature: Yakugaku Zasshi, , vol. 75, p. 891 Chem.Abstr., , p. 4979

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thiopental Structure

thiopental

CAS#:76-75-5

Literature: Yakugaku Zasshi, , vol. 75, p. 891 Chem.Abstr., , p. 4979

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thiopental Structure

thiopental

CAS#:76-75-5

Literature: Yakugaku Zasshi, , vol. 75, p. 891 Chem.Abstr., , p. 4979

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 Synonyms

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