14-Metoksimetopon

14-Metoksimetopon
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	131575-03-6^Y
ATC kod	None
PubChem	CID 5486940
ChemSpider	4589140^Y
ChEMBL	CHEMBL326684^Y
Sinonimi	14-Methoxymetopon
Hemijski podaci
Formula	C₁₉H₂₃NO₄
Molarna masa	329,390
SMILES CO[C@@]12CCC(=O)[C@@]3(C)Oc4c(O)ccc5C[C@H]1N(C)CC[C@]23c45
InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13-,17-,18-,19+/m1/s1^Y Key:DENICFHULARDRG-XEKGUZQTSA-N^Y

14-Metoksimetopon je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 329,390 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	1
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	1,6
Rastvorljivost^[2] (logS, log(mol/L))	-2,4
Polarna površina^[3] (PSA, Å²)	59,0

^ 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.