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Thiopental sodium

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Name

Thiopental sodium

EINECS 200-763-1
CAS No. 71-73-8 Density N/A
PSA 83.83000 LogP 1.79330
Solubility N/A Melting Point N/A
Formula C11H18 N2 O2 S . Na Boiling Point N/A
Molecular Weight 264.324 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Poison by ingestion, intraperitoneal, rectal, subcutaneous, and intravenous routes. Human systemic effects by intraarterial route: acute arterial occlusion; by rectal route: respiratory depression, body temperature decrease, general anesthetic. An experimental teratogen. Experimental reproductive effects. An intravenous anesthetic. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also PENTOTHAL and BARBITURATES. Risk Codes 25
Molecular Structure Molecular Structure of 71-73-8 (4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-, sodium salt (1:1)) Hazard Symbols ToxicT
Synonyms

4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-, monosodium salt (9CI);Barbituricacid, 5-ethyl-5-(1-methylbutyl)-2-thio-, sodium deriv. (7CI);Barbituric acid,5-ethyl-5-(1-methylbutyl)-2-thio-, sodium salt (8CI);5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid monosodium;Farmotal;Hypnostan;Intra-Vital Sodium;Intraval sodium;Leopental;Nesdonal;Nesdonal sodium;Penthiobarbital sodium;Pentothal;Pentothal sodium;RS-Thiopental sodium;Ravonal;Sodium 5-ethyl-5-(1-methylbutyl)-2-thiobarbiturate;Sodium 5-ethyl-5-(a-methylbutyl)-2-thiobarbiturate;Sodium penthiobarbital;Sodium pentothal;Sodium pentothiobarbital;Sodiumthiopental;Sodium thiopentobarbital;Sodium thiopentone;Soluble thiopentone;Thiomebumal sodium;Thionembutal sodium;Thiopental sodium;Thiopental sodium salt;Thiopentobarbitone sodium;Thiopentone sodium;Thiothalsodium;Tiopental sodium;Trapanal;Trapanal sodium;

Article Data 1

Thiopental sodium History

 Pentothal sodium (71-73-8) was discovered in the early 1930s by Ernest H. Volwiler and Donalee L. Tabern, working for Abbott Laboratories. It was first used in human beings on March 8, 1934, by Dr. Ralph M. Waters in an investigation of its properties, which were short-term anesthesia and surprisingly little analgesia. Three months later, Dr. John S. Lundy started a clinical trial of thiopental at the Mayo Clinic at the request of Abbott.
It is famously associated with a number of anesthetic deaths in victims of the attack on Pearl Harbor. These deaths, relatively soon after its discovery, were due to excessive doses given to shocked trauma patients. Evidence has become available through freedom of information legislation and has been reviewed in the "British Journal of Anaesthesia". Thiopental anaesthesia was in its early days, but nevertheless only 13 of 344 wounded admitted to the Tripler Army Hospital did not survive.
Thiopental is still rarely used as a recreational drug, usually stolen from veterinarians or other legitimate users of the drug; however, more common sedatives such as benzodiazepines are usually preferred as recreational drugs, and abuse of thiopental tends to be uncommon and opportunistic.

Thiopental sodium Specification

 The Thiopental sodium, with the CAS registry number 4355-11-7,is also known as Thiopentobarbitone sodium; Thiopentone sodium; Thiothal sodium; 5-Ethyldihydro-5-(1-methylbutyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione sodium salt. It belongs to the product categories of Organic matters.Its EINECS number is 200-763-1. This chemical's molecular formula is C11H17N2O2S.Na and molecular weight is 264.32. What's more,Its systematic name is Thiopental sodium.It is a barbiturate that is administered intravenously for the induction of general anesthesia or for the production of complete anesthesia of short duration. It is also used for hypnosis and for the control of convulsive states. It has been used in neurosurgical patients to reduce increased intracranial pressure. It does not produce any excitation but has poor analgesic and muscle relaxant properties. Small doses have been shown to be anti-analgesic and lower the pain threshold

Physical properties about Thiopental sodium are:
(1)ACD/LogP:  2.38; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  0.53; (4)ACD/LogD (pH 7.4):  -0.92; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  6.70; (8)ACD/KOC (pH 7.4):  1.00; (9)#H bond acceptors:  4; (10)#H bond donors:  2; (11)#Freely Rotating Bonds:  4.

You can still convert the following datas into molecular structure:
(1)SMILES:[Na+].O=C1NC(=S)/N=C(/[O-])C1(C(C)CCC)CC;
(2)Std. InChI:InChI=1S/C11H18N2O2S.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/p-1;
(3)Std. InChIKey:AWLILQARPMWUHA-UHFFFAOYSA-M.

The toxicity data of Thiopental sodium are as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 32500ug/kg (32.5mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 82, Pg. 212, 1953.
dog LD50 intravenous 36mg/kg (36mg/kg)   Current Researches in Anesthesia and Analgesia. Vol. 29, Pg. 89, 1950.
dog LDLo oral 150mg/kg (150mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937.
guinea pig LD50 intraperitoneal 57500ug/kg (57.5mg/kg)   Anesthesiology. Vol. 8, Pg. 589, 1947.
human TDLo intraarterial 7mg/kg (7mg/kg) VASCULAR: THROMBOSIS DISTANT FROM INJECTION SITE

VASCULAR: ACUTE ARTERIAL OCCLUSION
Lancet. Vol. 2, Pg. 571, 1943.
human TDLo rectal 45mg/kg (45mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Anesthesia and Analgesia Vol. 46, Pg. 395, 1967.
mouse LD50 intraperitoneal 115mg/kg (115mg/kg)   Drugs in Japan Vol. 6, Pg. 457, 1982.
mouse LD50 intravenous 57mg/kg (57mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 105, Pg. 221, 1956.
mouse LD50 oral 208mg/kg (208mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Journal of Pharmacology and Experimental Therapeutics. Vol. 115, Pg. 432, 1955.
mouse LD50 subcutaneous 225mg/kg (225mg/kg)   Toxicology and Applied Pharmacology. Vol. 27, Pg. 70, 1974.
rabbit LD50 intraperitoneal 35mg/kg (35mg/kg)   Drugs in Japan Vol. 6, Pg. 457, 1982.
rabbit LD50 intravenous 31mg/kg (31mg/kg)   Current Researches in Anesthesia and Analgesia. Vol. 29, Pg. 89, 1950.
rat LD50 intraperitoneal 28410ug/kg (28.41mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 509, 1940.
rat LD50 intravenous 43600ug/kg (43.6mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 317, 1956.
rat LD50 oral 117mg/kg (117mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Journal of Pharmacology and Experimental Therapeutics. Vol. 115, Pg. 432, 1955.
rat LD50 rectal 102mg/kg (102mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: GENERAL ANESTHETIC
Anesthesia and Analgesia Vol. 46, Pg. 395, 1967.
women TDLo rectal 107mg/kg (107mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)"
Clinical Toxicology. Vol. 2, Pg. 75, 1969.

 

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