Alklofenak

Alklofenak

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	22131-79-9^Y
ATC kod	M01AB06 (WHO)
PubChem	CID 30951
ChemSpider	28714^Y
UNII	M9CP5H21N8^Y
KEGG	D01252^Y
ChEMBL	CHEMBL94081^Y
Hemijski podaci
Formula	C11H11ClO3
Molarna masa	226,656
SMILES OC(=O)Cc1ccc(OCC=C)c(Cl)c1
InChI InChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)^Y Key:ARHWPKZXBHOEEE-UHFFFAOYSA-N^Y

Alklofenak je nesteroidni antiinflamatorni lek.

Sinteza

Alclofenac synth:^[1] C Gillet, Hoi N Buu, G Lambelin; CA 831040  eidem U.S. Patent 3.824.277 (1975, 1974 to Madan Ag).

Osobine

Alklofenak je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 226,656 Da.

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	5
Particioni koeficijent[2] (ALogP)	2,8
Rastvorljivost[3] (logS, log(mol/L))	-3,4
Polarna površina[4] (PSA, Å^2)	46,5

Reference

1. G. Gariraghi, S. Banfi, U. Cornelli, M. Pinzaand G. Pifferi, II Farmaco, Ed. Sci., 32, 286 (1977).
2. Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o. 
3. Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t. 
4. Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e. 

Literatura

• Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803. 
• Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799. 

Spoljašnje veze

• Alclofenac

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