Indometacin farnezil : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Indometacin farnezil

Indometacin farnezil
Klinički podaci

Drugs.com	farnesil.html Monografija
Identifikatori
CAS broj	85801-02-1^Y
ATC kod	None
PubChem	CID 5282183
ChemSpider	4445378^Y
Hemijski podaci
Formula	C₃₄H₄₀ClNO₄
Molarna masa	562,139
SMILES COc1ccc2c(c1)c(CC(=O)OC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)c(C)n2C(=O)c3ccc(Cl)cc3
InChI InChI=1S/C34H40ClNO4/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-20-40-33(37)22-30-26(5)36(32-18-17-29(39-6)21-31(30)32)34(38)27-13-15-28(35)16-14-27/h9,11,13-19,21H,7-8,10,12,20,22H2,1-6H3/b24-11+,25-19+^Y Key:CFIGYZZVJNJVDQ-LMJOQDENSA-N^Y

Indometacin farnezil je organsko jedinjenje, koje sadrži 34 atoma ugljenika i ima molekulsku masu od 562,139 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	0
Broj rotacionih veza	13
Particioni koeficijent^[1] (ALogP)	9,6
Rastvorljivost^[2] (logS, log(mol/L))	-11,2
Polarna površina^[3] (PSA, Å²)	57,5

^ 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.
^ 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.
^ 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.

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.