76-75-5

76-75-5 structure

Name: thiopental
Chemical Name: thiopental
CAS Number: 76-75-5
Molecular Formula: C₁₁H₁₈N₂O₂S
Molecular Weight: 242.33800
Catalog: analytical chemistry Standard Forensic and veterinary standards
Create Date: 2018-03-09 08:00:00
Modify Date: 2025-08-21 17:22:38

Name	thiopental
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

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

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

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

17356-08-0

76-75-5

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

76-74-4

76-75-5

134302-74-2

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

91334-59-7

76-75-5

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