309-43-3

The Seconal sodium is an organic compound with the formula C₁₂H₁₇N₂NaO₃. The IUPAC name of this chemical is sodium 5-pentan-2-yl-5-prop-2-enylpyrimidin-3-ide-2,4,6-trione. With the CAS registry number 309-43-3, it is also named as 4,6(1H,5H)-pyrimidinedione, 2-hydroxy-5-(1-methylbutyl)-5-(2-propen-1-yl)-, sodium salt (1:1). The product's classification codes are Drug / Therapeutic Agent; Sedative-hypnotic.

Physical properties about Seconal sodium are:
 (1)ACD/LogP: 2.01; (2)ACD/LogD (pH 5.5): 0.29; (3)ACD/LogD (pH 7.4): -1.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.65; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 69.97 Å².

When you are using Seconal sodium, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin and do not breathe dust. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C1/N=C(/[O-])NC(=O)C1(C(CCC)C)C\C=C
(2)InChI: InChI=1/C12H18N2O3.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1
(3)InChIKey: AXXJTNXVUHVOJW-REWHXWOFAD
(4)Std. InChI: InChI=1S/C12H18N2O3.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1
(5)Std. InChIKey: AXXJTNXVUHVOJW-UHFFFAOYSA-M

The toxicity data of Seconal sodium is as follows: