Metaflumizon

Metaflumizon
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	139968-49-3^Y
ATCvet kod	QP53AX25 (WHO)
ChemSpider	16738643^Y
Hemijski podaci
Formula	C₂₄H₁₆F₆N₄O₂
Molarna masa	506,400
SMILES O\C(=N/N=C(/Cc1ccc(cc1)C#N)\c2cccc(c2)C(F)(F)F)\Nc3ccc(OC(F)(F)F)cc3
InChI InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21-^Y Key:MIFOMMKAVSCNKQ-HWIUFGAZSA-N^Y

Metaflumizon je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 506,400 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	2
Broj rotacionih veza	9
Particioni koeficijent^[1] (ALogP)	7,9
Rastvorljivost^[2] (logS, log(mol/L))	-10,1
Polarna površina^[3] (PSA, Å²)	90,0

^ 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.