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The IUPAC name of Pentobarbital sodium is 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione; sodium. With the CAS registry number 57-33-0, it is also named as 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, monosodium salt. Pentobarbital sodium occurs as odorless, slightly bitter tasting, white, crystalline powder or granules. It is very soluble in water and freely soluble in alcohol. The pKa of the drug has been reported to range from 7.85-8.03 and the pH of the injection is from 9-10.5. Alcohol or propylene glycol may be added to enhance the stability of the injectable product.
Physical properties about Pentobarbital sodium are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 21; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 310; (8)ACD/KOC (pH 7.4): 235; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Rotatable Bond Count: 4; (13)Tautomer Count: 6; (14)Exact Mass: 249.121512; (15)MonoIsotopic Mass: 249.121512; (16)Topological Polar Surface Area: 75.3; (17)Heavy Atom Count: 17.
Uses of Pentobarbital sodium: Once Pentobarbital sodium was the principal agent used for general anesthesia in small animals, but has been largely superceded by the inhalant anesthetic agents. It is still commonly used as an anesthetic in laboratory situations, for rodents and occasionally as a sedative agent in dogs and cats. Pentobarbital sodium is considered to be a drug of choice in dogs and cats for treating intractable seizures secondary to convulsant agents (e.g., strychnine) or as a result of CNS toxins (e.g., tetanus). It should not be used to treat seizures caused by lidocaine intoxication. Pentobarbital sodium has been used as a sedative and anesthetic agent in horses, cattle, swine, sheep and goats. Often the drug is given after a preanesthetic agent to reduce pentobarbital dosages and side effects. Pentobarbital is a major active ingredient in several euthanasia solutions. This indication is discussed later in this section in the monograph for pentobarbital euthanasia solutions.
When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure:
1. SMILES:[Na+].O=C1NC(=O)NC(=O)C1(C(C)CCC)CC;
2. InChI:InChI=1/C11H18N2O3.Na/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);/q;+1;|
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
bird - wild | LD50 | oral | 75mg/kg (75mg/kg) | Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. | |
cat | LD50 | oral | 100mg/kg (100mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: EXCITEMENT BEHAVIORAL: ATAXIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 260, 1946. |
cat | LDLo | intraperitoneal | 70mg/kg (70mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 46, Pg. 387, 1932. | |
chicken | LD50 | intraperitoneal | 51540ug/kg (51.54mg/kg) | Toxicology and Applied Pharmacology. Vol. 2, Pg. 558, 1960. | |
chicken | LD50 | intravenous | 48mg/kg (48mg/kg) | Toxicology and Applied Pharmacology. Vol. 2, Pg. 558, 1960. | |
dog | LD50 | oral | 65mg/kg (65mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 119, 1944. | |
dog | LDLo | intraperitoneal | 50mg/kg (50mg/kg) | "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 181, 1973. | |
dog | LDLo | intravenous | 50mg/kg (50mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC | Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937. |
duck | LD50 | oral | 75mg/kg (75mg/kg) | Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. | |
guinea pig | LD50 | intramuscular | 70300ug/kg (70.3mg/kg) | BEHAVIORAL: SLEEP | Canadian Anaesthetists' Society Journal. Vol. 2, Pg. 109, 1955. |
guinea pig | LD50 | oral | 60mg/kg (60mg/kg) | Compilation of LD50 Values of New Drugs. | |
guinea pig | LD50 | subcutaneous | 70mg/kg (70mg/kg) | AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 137, Pg. 375, 1962. |
guinea pig | LDLo | intraperitoneal | 56mg/kg (56mg/kg) | Proceedings of the Society for Experimental Biology and Medicine. Vol. 33, Pg. 527, 1936. | |
man | TDLo | oral | 6430ug/kg (6.43mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA BEHAVIORAL: ANTIPSYCHOTIC | Journal of Pharmacology and Experimental Therapeutics. Vol. 197, Pg. 488, 1976. |
mouse | LD50 | intracrebral | 6500ug/kg (6.5mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 197, Pg. 479, 1976. | |
mouse | LD50 | intramuscular | 124mg/kg (124mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 102, Pg. 138, 1951. | |
mouse | LD50 | intraperitoneal | 126mg/kg (126mg/kg) | Journal of Medicinal Chemistry. Vol. 12, Pg. 989, 1969. | |
mouse | LD50 | intravenous | 81mg/kg (81mg/kg) | European Journal of Pharmacology. Vol. 13, Pg. 150, 1971. | |
mouse | LD50 | oral | 239mg/kg (239mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 2180, 1981. | |
mouse | LD50 | subcutaneous | 122mg/kg (122mg/kg) | Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971. | |
pigeon | LD50 | oral | 133mg/kg (133mg/kg) | Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. | |
rabbit | LD50 | intraperitoneal | 65mg/kg (65mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 42, Pg. 253, 1931. | |
rabbit | LD50 | intravenous | 40mg/kg (40mg/kg) | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 44, Pg. 221, 1955. | |
rabbit | LD50 | oral | 175mg/kg (175mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 42, Pg. 253, 1931. | |
rabbit | LDLo | parenteral | 60mg/kg (60mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Journal of Pharmacology and Experimental Therapeutics. Vol. 41, Pg. 465, 1931. |
rabbit | LDLo | rectal | 65mg/kg (65mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 189, 1937. | |
rat | LD50 | intraduodenal | 39mg/kg (39mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969. | |
rat | LD50 | intraperitoneal | 36mg/kg (36mg/kg) | Food and Cosmetics Toxicology. Vol. 3, Pg. 597, 1965. | |
rat | LD50 | intravenous | 65mg/kg (65mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 135, Pg. 213, 1962. | |
rat | LD50 | oral | 118mg/kg (118mg/kg) | Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. | |
rat | LD50 | subcutaneous | 47mg/kg (47mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969. | |
women | TDLo | oral | 60mg/kg (60mg/kg) | BEHAVIORAL: WAKEFULNESS | Journal of Laboratory and Clinical Medicine. Vol. 29, Pg. 265, 1944. |