Oksaprotilin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Oksaprotilin

Oksaprotilin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	56433-44-4^Y
ATC kod	None
PubChem	CID 38207
ChemSpider	35026^Y
UNII	3V3Z2HK4LS^Y
ChEMBL	CHEMBL1213009^Y
Hemijski podaci
Formula	C₂₀H₂₃NO
Molarna masa	293,403
SMILES CNCC(O)CC12CCC(c3ccccc13)c4ccccc24
InChI InChI=1S/C20H23NO/c1-21-13-14(22)12-20-11-10-15(16-6-2-4-8-18(16)20)17-7-3-5-9-19(17)20/h2-9,14-15,21-22H,10-13H2,1H3^Y Key:FDXQKWSTUZCCTM-UHFFFAOYSA-N^Y

Oksaprotilin je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 293,403 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	2
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	3,1
Rastvorljivost^[2] (logS, log(mol/L))	-5,8
Polarna površina^[3] (PSA, Å²)	32,3

^ 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.