Loxoprofen sodium

 Loxoprofen (CAS NO.80382-23-6) Market Research Report 2009

The Loxoprofen sodium, with the CAS registry number 80382-23-6, is also known as Benzeneaceticacid, a-methyl-4-[(2-oxocyclopentyl)methyl]-,sodium salt (9CI). It belongs to the product categories of APIS; Aromatics; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₁₅H₁₇NaO₃ and molecular weight is 268.28. What's more, its systematic name is Sodium 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoate.

Physical properties about Loxoprofen sodium (CAS 80382-23-6) are: (1)ACD/LogP: 1.866; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4):  -1.07; (5)ACD/BCF (pH 5.5):  1.12; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  17.90; (8)ACD/KOC (pH 7.4):  1.00; (9)#H bond acceptors:  3; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  4; (12)Polar Surface Area:  54.37 Å²; (13)Flash Point:  220.7 °C; (14)Enthalpy of Vaporization:  70.78 kJ/mol; (15)Boiling Point:  417.9 °C at 760 mmHg; (16)Vapour Pressure:  9.92E-08 mmHg at 25°C.

Preparation of Loxoprofen sodium (CAS 80382-23-6): it can be produced by ethyl 2-oxocyclopentanecarboxylate (I) with ethyl 2-(4-chloromethylphenyl)propionate (II) by means of KOH in hot DMF. The reaction gives ethyl 2-[4-(1-ethoxycarbonyl-2-oxocyclopentan-1-ylmethyl)phenyl]propionate (III), which is then hydrolyzed and decarboxylated by treatment with 47% HBr in refluxing dioxane.

Uses of Loxoprofen sodium (CAS 80382-23-6): it is a non-steroidal anti-inflammatory drug which is used for chronic and wet arthritis, deformability arthropathy, waist pain and periarthritis of shoulder. It's the sodium salt of Loxoprofen marketed in Brazil, Mexico and Japan by Sankyo.

You can still convert the following datas of Loxoprofen sodium (CAS 80382-23-6) into molecular structure:
(1) SMILES:[Na+].O=C2C(Cc1ccc(cc1)C(C([O-])=O)C)CCC2
(2) Std. InChI:InChI=1S/C15H18O3.Na/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16;/h5-8,10,13H,2-4,9H2,1H3,(H,17,18);/q;+1/p-1
(3) Std. InChIKey:WORCCYVLMMTGFR-UHFFFAOYSA-M