Adrafinil : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Adrafinil

Adrafinil
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	63547-13-7^Y
ATC kod	N06BX17 (WHO)
PubChem	CID 3033226
ChemSpider	2297976^Y
UNII	BI81Z4542G^Y
KEGG	D07348^Y
ChEMBL	CHEMBL93077^Y
Hemijski podaci
Formula	C₁₅H₁₅NO₃S
Molarna masa	289,349
SMILES O\N=C(/O)\CS(=O)C(c1ccccc1)c2ccccc2
InChI InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)^Y Key:CGNMLOKEMNBUAI-UHFFFAOYSA-N^Y

Adrafinil je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 289,349 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	2
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	2,4
Rastvorljivost^[2] (logS, log(mol/L))	-4,3
Polarna površina^[3] (PSA, Å²)	89,1

^ 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.