Zileuton

 Zileuton was introduced by Abbott Laboratories in 1996 and is now marketed in two formulations by Cornerstone Therapeutics Inc. under the brand names ZYFLO and ZYFLO CR.

The Zileuton, with the CAS registry number 111406-87-2,is also known as 1-(1-Benzothiophen-2-ylethyl)-1-hydroxy-urea. It belongs to the product categories of Pharmaceuticals;Amines;Aromatics. Its EINECS number is 231-791-2. This chemical's molecular formula is C₁₁H₁₂N₂O₂S and molecular weight is 236.29. What's more,Its systematic name is Urea,N-(1-benzo(b)thien-2-ylethyl)-N-hydroxy-.It is a Crystalline Solid which is an inhibitor of 5-lipoxygenase,the initial enzyme in the biosynthesis of leukotrienes from Arachidonic Acid. It is used as an antiasthmatic.

Physical properties about Zileuton are:
(1)ACD/LogP:  2.704; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  2.70; (4)ACD/LogD (pH 7.4):  2.70; (5)ACD/BCF (pH 5.5):  66.81; (6)ACD/BCF (pH 7.4):  66.2; (7)ACD/KOC (pH 5.5):  704.39; (8)ACD/KOC (pH 7.4):  698.24; (9)#H bond acceptors:  4; (10)#H bond donors:  3; (11)#Freely Rotating Bonds:  ³; (12)Index of Refraction:  1.704; (13)Molar Refractivity:  65.486 cm³; (14)Molar Volume:  168.657 cm³; (15)Surface Tension:  68.8489990234375 dyne/cm; (16)Density:  1.401 g/cm3; (17)Flash Point:  225.612 °C; (18)Enthalpy of Vaporization:  74.625 kJ/mol; (19)Boiling Point:  449.437 °C at 760 mmHg; (20)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)O=C(N)N(O)C(c2sc1ccccc1c2)C;
(2)Std. InChI:InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14);
(3)Std. InChIKey:MWLSOWXNZPKENC-UHFFFAOYSA-N.