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. |
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