Metilon

Metilon
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	186028-79-5^Y
ATC kod	none
PubChem	CID 27281606
ChemSpider	21106350^Y
Hemijski podaci
Formula	C₁₁H₁₃NO₃
Molarna masa	207,226
SMILES CNC(C)C(=O)c1ccc2OCOc2c1
InChI InChI=1S/C11H13NO3/c1-7(12-2)11(13)8-3-4-9-10(5-8)15-6-14-9/h3-5,7,12H,6H2,1-2H3^Y Key:VKEQBMCRQDSRET-UHFFFAOYSA-N^Y

Fizički podaci
Rastvorljivost u vodi	357 mg/mL (20 °C)

Metilon je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 207,226 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	1,3
Rastvorljivost^[2] (logS, log(mol/L))	-1,8
Polarna površina^[3] (PSA, Å²)	47,6

^ 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.