57-33-0

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Once Pentobarbital sodium was the principal agent used for general anesthesia in small animals, but has been largely superceded by the inhalant anesthetic agents.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.