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64-43-7

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Basic Information
CAS No.: 64-43-7
Name: Amytal sodium
Molecular Structure:
Molecular Structure of 64-43-7 (Amytal sodium)
Formula: C11H18N2O3·Na
Molecular Weight: 248.29
Synonyms: Barbamyl;Dorminal;Dormital;Dusotal;Hypnobal;Inmetal;Iosmytal sodium;Isomytal sodium;S. P. Amobarb;Sodium 5-ethyl-5-(3-methylbutyl)barbiturate;Sodium 5-ethyl-5-isopentylbarbiturate;Sodium Amytal;Sodium Barbamyl;Sodiumamital;Sodium amobarbital;Sodium amylobarbital;Sodium amylobarbitone;Sodiumethylisoamylbarbiturate;Sodium isoamylethylbarbiturate;Talamo;2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(3-methylbutyl)-, sodium salt (1:1);2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(3-methylbutyl)-, monosodium salt (9CI);Barbituric acid,5-ethyl-5-isopentyl-, sodium deriv. (7CI);Barbituric acid,5-ethyl-5-isopentyl-, sodium salt (8CI);Alitinal;Ambarlone;Amiotal;Amsebarb;Amylobarbitone sodium;5-Ethyl-5-(3-methylbutyl)-2,4,6-(1H,3H,5H)-pyrimidinetrione sodium salt;
EINECS: 200-584-9
Flash Point: 11 °C
Solubility: very soluble in water, soluble in ethanol, hardly soluble in diethyl ether
Appearance: white powder
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 36
Transport Information: UN 2811 6.1/PG 3
PSA: 81.59000
LogP: 1.02630
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Specification

The Amobarbital sodium, with the CAS registry number 64-43-7, is also known as 5-Ethyl-5-(3-methylbutyl)-2,4,6-(1H,3H,5H)-pyrimidinetrione sodium salt. Its EINECS number is 200-584-9. This chemical's molecular formula is C11H18N2O3·Na and molecular weight is 248.29. What's more, its systematic name is 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-, sodium salt (1:1). Its classification codes are: (1)Drug / Therapeutic Agent; (2)Sedative-hypnotic. It is a barbiturate with hypnotic and sedative properties (but not antianxiety). Its adverse effects are mainly a consequence of dose-related CNS depression and the risk of dependence with continued use is high. It is harmful if swallowed. When using it, you need wear suitable protective clothing. 

Physical properties of Amobarbital sodium are: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 75.27 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C1NC(=O)NC(=O)C1(CCC(C)C)CC
(2)Std. InChI: InChI=1S/C11H18N2O3.Na/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1
(3)Std. InChIKey: BNHGKKNINBGEQL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intraperitoneal 90mg/kg (90mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 46, Pg. 387, 1932.
cat LDLo intravenous 60mg/kg (60mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: GENERAL ANESTHETIC
Journal of Pharmacology and Experimental Therapeutics. Vol. 39, Pg. 177, 1930.
dog LD50 intravenous 75mg/kg (75mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: TREMOR
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 44, Pg. 152, 1955.
dog LD50 oral 99mg/kg (99mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 68, Pg. 22, 1940.
dog LDLo rectal 200mg/kg (200mg/kg)   Journal of the American Pharmaceutical Association. Vol. 26, Pg. 1248, 1937.
frog LDLo oral 110mg/kg (110mg/kg)   Journal of the American Pharmaceutical Association. Vol. 26, Pg. 1248, 1937.
guinea pig LDLo intraperitoneal 120mg/kg (120mg/kg)   Journal of the American Pharmaceutical Association. Vol. 26, Pg. 1248, 1937.
guinea pig LDLo intravenous 90mg/kg (90mg/kg)   Journal of the American Pharmaceutical Association. Vol. 26, Pg. 1248, 1937.
guinea pig LDLo subcutaneous 170mg/kg (170mg/kg)   Journal of the American Pharmaceutical Association. Vol. 26, Pg. 1248, 1937.
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 87, Pg. 265, 1946.
mouse LD50 oral 505mg/kg (505mg/kg)   Farmaco, Edizione Scientifica. Vol. 14, Pg. 845, 1959.
mouse LD50 subcutaneous 200mg/kg (200mg/kg)   Farmakologiya i Toksikologiya Vol. 38, Pg. 152, 1975.
mouse LDLo intravenous 200mg/kg (200mg/kg)   Journal of the American Pharmaceutical Association. Vol. 26, Pg. 1248, 1937.
rabbit LD50 intraperitoneal 90mg/kg (90mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 42, Pg. 253, 1931.
rabbit LD50 intravenous 70mg/kg (70mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: TREMOR
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 44, Pg. 152, 1955.
rabbit LD50 oral 575mg/kg (575mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 42, Pg. 253, 1931.
rabbit LDLo subcutaneous 110mg/kg (110mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 31, Pg. 1, 1927.
rat LD50 intravenous 128mg/kg (128mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: TREMOR
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 44, Pg. 152, 1955.
rat LD50 oral 275mg/kg (275mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 68, Pg. 22, 1940.
rat LDLo intraperitoneal 120mg/kg (120mg/kg)   Journal of the American Chemical Society. Vol. 55, Pg. 2979, 1933.
rat LDLo subcutaneous 90mg/kg (90mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 31, Pg. 1, 1927.