Zileuton

Structure of Zileuton (CAS NO.111406-87-2):

Molecular Formula: C₁₁H₁₂N₂O₂S
Molar mass: 236.29018 g/mol
Density: 1.401 g/cm³  
Melting Point:157-158 °C                      
Flash Point: 225.6 °C                 
Boiling Point: 449.4 °C at 760 mmHg         
Index of Refraction: 1.704            
Vapour Pressure: 7.29E-09 mmHg at 25 °C  
Appearance: crystalline solid
XLogP3-AA: 1.6
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 236.061948
MonoIsotopic Mass: 236.061948
Topological Polar Surface Area: 66.6
Heavy Atom Count: 16 
Canonical SMILES: CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O
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)
InChIKey: MWLSOWXNZPKENC-UHFFFAOYSA-N
Product Categories: Active Pharmaceutical Ingredients; Antiasthmatic; All Inhibitors; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals

 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.

 Zileuton (CAS NO.111406-87-2) can be able to selectively inhibit  biosynthesis of 5 - lipoxygenase. It is also used in the treatment of asthma medication.

 Zileuton (CAS NO.111406-87-2) is also named as (+-)-1-(1-Benzo(b)thien-2-ylethyl)-1-hydroxyurea ; A 64077 ; Abbott 64077 ; Leutrol ; N-(1-Benzo(b)thien-2-ylethyl)-N-hydroxyurea ; UNII-V1L22WVE2S ; Urea, N-(1-benzo(b)thien-2-ylethyl)-N-hydroxy-, (+-)- ; Zileutonum ; Zileutonum [INN-Latin] ; Zyflo ; Zyflo CR .