CAS No.71-73-8,4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-, sodium salt (1:1) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	71-73-8
Name:	4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-, sodium salt (1:1)
Article Data:	1

Formula:	C11H18 N2 O2 S . Na
Molecular Weight:	264.324
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;
EINECS:	200-763-1
Hazard Symbols:	T
Risk Codes:	25
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 NO_x and Na₂O. See also PENTOTHAL and BARBITURATES.
PSA:	83.83000
LogP:	1.79330

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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.

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.