Nalmefen

Nalmefen
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	55096-26-9^Y
ATC kod	none
PubChem	CID 5284594
ChemSpider	4447642^Y
UNII	TOV02TDP9I^Y
ChEMBL	CHEMBL982^Y
Hemijski podaci
Formula	C₂₁H₂₅NO₃
Molarna masa	339,428
SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@]56[C@@H](Oc1c25)C(=C)CC[C@]36O
InChI InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20-,21+/m1/s1^Y Key:WJBLNOPPDWQMCH-RCOXNQKVSA-N^Y

Nalmefen je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 339,428 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	2
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	2,8
Rastvorljivost^[2] (logS, log(mol/L))	-2,8
Polarna površina^[3] (PSA, Å²)	52,9

^ 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.