Proksorfan : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Proksorfan

Proksorfan
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	69815-38-9^Y
ATC kod	none
ChemSpider	21476727^Y
UNII	TFE8T279QV^Y
Hemijski podaci
Formula	C₁₉H₂₅NO₂
Molarna masa	299,407
SMILES Oc1ccc2CC3C4CCOCC4(CCN3CC5CC5)c2c1
InChI InChI=1S/C19H25NO2/c21-15-4-3-14-9-18-16-5-8-22-12-19(16,17(14)10-15)6-7-20(18)11-13-1-2-13/h3-4,10,13,16,18,21H,1-2,5-9,11-12H2^Y Key:USEITRSTDJBLBU-UHFFFAOYSA-N^Y

Proksorfan je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 299,407 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	2,6
Rastvorljivost^[2] (logS, log(mol/L))	-3,5
Polarna površina^[3] (PSA, Å²)	32,7

^ 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.