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Name |
5,5-Diethylbarbituric acid sodium salt |
EINECS | 205-613-9 |
CAS No. | 144-02-5 | Density | 1.418[at 20℃] |
PSA | 81.59000 | LogP | 0.00010 |
Solubility | Soluble in water | Melting Point |
190℃ |
Formula | C8H11N2O3Na | Boiling Point | N/A |
Molecular Weight | 206.177 | Flash Point | N/A |
Transport Information | UN 3288 | Appearance | white solid. |
Safety | 36 | Risk Codes | 22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diethyl-, monosodium salt (9CI);Barbituric acid, 5,5-diethyl-, sodium salt(8CI);Barbital sodium;Barbital soluble;Barbitone sodium;Diethylmalonylureasodium;Embinal;Medinal;Natrinal;Nervoseton;Sodium5,5-diethylbarbiturate;Sodium Veronal;Sodium barbital;Sodium barbitone;Sodium diethylbarbiturate;Soluble barbital;Soprinal;Thyalone;Veronal sodium;4,6(1H,5H)-pyrimidinedione, 5,5-diethyl-2-hydroxy-, sodium salt (1:1);5,5-Diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione Monosodium Salt;sodium 5,5-diethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate; |
The Barbital sodium, with the CAS registry number 144-02-5 and EINECS registry number 205-613-9, has the IUPAC name of sodium 5,5-diethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate. A long-acting Barbital sodium that depresses most metabolic processes at high doses. It is used as a hypnotic and sedative and may induce dependence. And the molecular formula of this chemical is C8H11N2O3Na. What's more, it is usually used in serum protein electrophoresis, hepatic function test and so on.
The physical properties of Barbital sodium are as followings: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.21; (4)ACD/LogD (pH 7.4): -3.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 69.97 Å2.
You should be cautious while dealing with this chemical. It is harmful if swallowed. Therefore, you had better wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C1/N=C(/[O-])NC(=O)C1(CC)CC
(2)InChI: InChI=1/C8H12N2O3.Na/c1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h3-4H2,1-2H3,(H2,9,10,11,12,13);/q;+1/p-1
(3)InChIKey: RGHFKWPGWBFQLN-REWHXWOFAJ
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LDLo | intravenous | 400mg/kg (400mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: GENERAL ANESTHETIC | Journal of Pharmacology and Experimental Therapeutics. Vol. 39, Pg. 177, 1930. |
cat | LDLo | subcutaneous | 300mg/kg (300mg/kg) | "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 52, 1973. | |
dog | LDLo | intravenous | 300mg/kg (300mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC | Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937. |
guinea pig | LDLo | subcutaneous | 200mg/kg (200mg/kg) | BEHAVIORAL: SLEEP | Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 128, Pg. 678, 1938. |
mouse | LD50 | intraperitoneal | 620mg/kg (620mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 87, Pg. 265, 1946. | |
mouse | LD50 | intravenous | 830mg/kg (830mg/kg) | Toxicology and Applied Pharmacology. Vol. 27, Pg. 70, 1974. | |
mouse | LD50 | oral | 800mg/kg (800mg/kg) | Toxicology and Applied Pharmacology. Vol. 27, Pg. 70, 1974. | |
mouse | LD50 | subcutaneous | 700mg/kg (700mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 109, Pg. 268, 1953. | |
rabbit | LD50 | intraperitoneal | 250mg/kg (250mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 42, Pg. 253, 1931. | |
rabbit | LDLo | intravenous | 400mg/kg (400mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC | Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937. |
rabbit | LDLo | oral | 275mg/kg (275mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 42, Pg. 253, 1931. | |
rabbit | LDLo | subcutaneous | 290mg/kg (290mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 31, Pg. 1, 1927. | |
rat | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | Anesthesiology. Vol. 17, Pg. 43, 1956. | |
rat | LD50 | intravenous | 280mg/kg (280mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 135, Pg. 213, 1962. | |
rat | LD50 | oral | 600mg/kg (600mg/kg) | Archives of Toxicology. Vol. 54, Pg. 275, 1983. | |
rat | LDLo | subcutaneous | 300mg/kg (300mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 31, Pg. 1, 1927. |