Safinamid

Safinamid
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	133865-89-1^Y
ATC kod	none
PubChem	CID 131682
ChemSpider	116349^Y
UNII	90ENL74SIG^Y
KEGG	D10158^Y
ChEMBL	CHEMBL396778^Y
Sinonimi	(2S)-2-[[4-[(3-Fluorophenyl)methoxy]phenyl] methylamino]propanamide
Hemijski podaci
Formula	C₁₇H₁₉FN₂O₂
Molarna masa	302,343
SMILES C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(=N)O
InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1^Y Key:NEMGRZFTLSKBAP-LBPRGKRZSA-N^Y

Safinamid je organsko jedinjenje, koje sadrži 17 atoma ugljenika i ima molekulsku masu od 302,343 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	3
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	3,2
Rastvorljivost^[2] (logS, log(mol/L))	-4,1
Polarna površina^[3] (PSA, Å²)	65,3

^ 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.