4-Fenilfentanil

4-Fenilfentanil
Klinički podaci

Drugs.com	Monografija
Identifikatori
ATC kod	none
PubChem	CID 10319503
Sinonimi	4-Phenylfentanyl
Hemijski podaci
Formula	C₂₈H₃₂N₂O
Molarna masa	412,566
SMILES CCC(=O)N(c1ccccc1)C2(CCN(CCc3ccccc3)CC2)c4ccccc4
InChI InChI=1S/C28H32N2O/c1-2-27(31)30(26-16-10-5-11-17-26)28(25-14-8-4-9-15-25)19-22-29(23-20-28)21-18-24-12-6-3-7-13-24/h3-17H,2,18-23H2,1H3^Y Key:BXCJXJLHYMWMQU-UHFFFAOYSA-N^Y

4-Fenilfentanil je organsko jedinjenje, koje sadrži 28 atoma ugljenika i ima molekulsku masu od 412,566 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	5,3
Rastvorljivost^[2] (logS, log(mol/L))	-7,2
Polarna površina^[3] (PSA, Å²)	23,6

^ 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.