Bufexamac

EPA Genetic Toxicology Program.

The IUPAC name of Bufexamac is 2-(4-butoxyphenyl)-N-hydroxyacetamide. With the CAS registry number 2438-72-4, it is also named as 2-(p-Butoxyphenyl)acetohydroxamic acid. The product's categories are Chemistry; Miscellaneous; Lipid signaling. It is toxic. When heated to decomposition it emits toxic fumes of NO_x. So the storage environment should be ventilate, low-temperature and dry.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.45; (6)ACD/BCF (pH 7.4): 11.29; (7)ACD/KOC (pH 5.5): 199.31; (8)ACD/KOC (pH 7.4): 196.51; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 61.53 cm³; (14)Molar Volume: 199.2 cm³; (15)Polarizability: 24.39×10^-24 cm³; (16)Surface Tension: 42.8 dyne/cm; (17)Rotatable Bond Count: 6; (18)Tautomer Count: 3; (19)Exact Mass: 223.120843; (20)MonoIsotopic Mass: 223.120843; (21)Topological Polar Surface Area: 58.6; (22)Heavy Atom Count: 16; (23)Complexity: 200.

Uses of Bufexamac: It is a drug used as an anti-inflamatory agent on the skin, as well as rectally. And it is thought to act by inhibiting the enzyme cyclooxygenase. But this drug can cause severe contact dermatitis which is often hard to distinguish from the initial condition. 

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(NO)Cc1ccc(OCCCC)cc1
2. InChI:InChI=1/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)

The following are the toxicity data which has been tested.