14-Metoksimetopon

14-Metoksimetopon
Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	131575-03-6
ATC kod	None
PubChem	CID 5486940
ChemSpider	4589140
ChEMBL	CHEMBL326684
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 ; Key:DENICFHULARDRG-XEKGUZQTSA-N ;

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, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods”. The Journal of Physical Chemistry A. 102 (21): 3762—3772. Bibcode:1998JPCA..102.3762G. doi:10.1021/jp980230o.
^ Tetko, Igor V.; Tanchuk, Vsevolod Yu.; Kasheva, Tamara N.; Villa, Alessandro E. P. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Journal of Chemical Information and Computer Sciences. 41 (6): 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl, Peter; Rohde, Bernhard; Selzer, Paul (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”. Journal of Medicinal Chemistry. 43 (20): 3714—3717. PMID 11020286. doi:10.1021/jm000942e.