14-Fenilpropoksimetopon : Osobine, Reference, Literatura, Spoljašnje veze Википедија

14-Fenilpropoksimetopon

14-Fenilpropoksimetopon
Klinički podaci

Drugs.com	Monografija
Identifikatori
ATC kod	None
PubChem	CID 10238204
ChemSpider	8413692^Y
Sinonimi	14-Phenylpropoxymetopon, PPOM
Hemijski podaci
Formula	C₂₇H₃₁NO₄
Molarna masa	433,539
SMILES CN1CC[C@]23c4c5C[C@@H]1[C@]2(CCC(=O)[C@@]3(C)Oc4c(O)cc5)OCCCc6ccccc6
InChI InChI=1S/C27H31NO4/c1-25-22(30)12-13-27(31-16-6-9-18-7-4-3-5-8-18)21-17-19-10-11-20(29)24(32-25)23(19)26(25,27)14-15-28(21)2/h3-5,7-8,10-11,21,29H,6,9,12-17H2,1-2H3/t21-,25-,26-,27+/m1/s1^Y Key:YLXOHYYZBORDAJ-YFVWJHKLSA-N^Y

14-Fenilpropoksimetopon je organsko jedinjenje, koje sadrži 27 atoma ugljenika i ima molekulsku masu od 433,539 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	1
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	3,9
Rastvorljivost^[2] (logS, log(mol/L))	-5,3
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.