Viloksazin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Viloksazin

Viloksazin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	46817-91-8^Y
ATC kod	N06AX09 (WHO)
PubChem	CID 5666
ChemSpider	5464^Y
UNII	5I5Y2789ZF^Y
KEGG	D08673^Y
ChEMBL	CHEMBL306700^Y
Hemijski podaci
Formula	C₁₃H₁₉NO₃
Molarna masa	237,295
SMILES CCOc1ccccc1OCC2CNCCO2
InChI InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3^Y Key:YWPHCCPCQOJSGZ-UHFFFAOYSA-N^Y

Viloksazin je organsko jedinjenje, koje sadrži 13 atoma ugljenika i ima molekulsku masu od 237,295 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	1,5
Rastvorljivost^[2] (logS, log(mol/L))	-2,4
Polarna površina^[3] (PSA, Å²)	39,7

^ 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.