Fenomorfan

fenomorfan
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	468-07-5^Y
ATC kod	none
PubChem	CID 5362458
ChemSpider	16735962^Y
UNII	26HXE4B73P^Y
Sinonimi	(-)-3-hydroxy- N- (2-phenylethyl) morphinan
Hemijski podaci
Formula	C₂₄H₂₉NO
Molarna masa	347,493
SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@@]4(CCN3CCc5ccccc5)c2c1
InChI InChI=1S/C24H29NO/c26-20-10-9-19-16-23-21-8-4-5-12-24(21,22(19)17-20)13-15-25(23)14-11-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,21,23,26H,4-5,8,11-16H2/t21-,23+,24-/m0/s1^Y Key:CFBQYWXPZVQQTN-QTJGBDASSA-N^Y

fenomorfan je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 347,493 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	5,4
Rastvorljivost^[2] (logS, log(mol/L))	-6,5
Polarna površina^[3] (PSA, Å²)	23,5

^ 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.