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: 2026-07-10 18:44:21

Name	thiopental
Synonyms	Thiopental CRS Thiomebumal (±)thiopental solution Medidrug Thiopental S Level 3 - Thiopental in Serum (+-)-thiopental methanol solution THIOPENTAL Thiopental for ID and assay CRS Bbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio- (8CI) ('+/-)-THIOPENTAL Tiopentale Thiopental, 1mg/ml in Methanol Medidrug Thiopental S Level 1 - Thiopental in Serum Intraval (+,-)-thiopental free acid-dea*schedule iii item PENTOTHAL ACID 2-Thio-5-ethyl-5-sec-pentylbbituric acid 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo Thiothal Pentothal Thiopental CIII Medidrug Thiopental S Level 2 - Thiopental in Serum Pentothiobbital Thiopental for system suitability (Y0001478) 5-ethyl-5-(1-methylbutyl)-2-thio-bbituricaci THIOPENTONE 5-ETHYL-5-[1-METHYLBUTYL]-2-THIOBBITURIC ACID Thiopentobbitone Penthiobbital Thiopentobbital EINECS 200-984-3 5-Ethyldihydro-5-(1-methylbutyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo- (9CI) 5-Ethyl-5-(1-methylbutyl)-2-thiobbitirobic acid 5-Aethyl-5-(1-methyl-butyl)-2-thio-barbitursaeure Nesdonal 5-ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione Thiopentobbituric acid Medidrug Thiopental S Set Level - Thiopental in Serum 5-Ethyl-5-[(S)-1-methylbutyl]-2-thioxo-1,2-dihydropyrimidine-4,6(3H,5H)-dione 5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione (+/-)-THIOPENTAL 5-ETHYL-5-PENTAN-2-YL-2-SULFANYL-1H-PYRIMIDINE-4,6-DIONE Bbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio 5-Ethyl-5-(1-methylbutyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (1h,5h)-pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-6 MFCD00057564 5-ethyl-5-(1-methylbutyl)-2-thiobarbituric acid Thiopental for system suitability Penthiobarbital Thiopental for system suitability CRS

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