Etafenon

Etafenon
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	2192-21-4^Y
ATC kod	C01DX07 (WHO)
PubChem	CID 66659
UNII	0I14K589E7^Y
KEGG	D01440^Y
Hemijski podaci
Formula	C₂₁H₂₇NO₂
Molarna masa	325,445
SMILES CCN(CC)CCOc1ccccc1c2cccc(c2)C(=O)CC
InChI InChI=1S/C21H27NO2/c1-4-20(23)18-11-9-10-17(16-18)19-12-7-8-13-21(19)24-15-14-22(5-2)6-3/h7-13,16H,4-6,14-15H2,1-3H3^Y Key:HLPYPXZSMZEDTM-UHFFFAOYSA-N^Y

Etafenon je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 325,445 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	0
Broj rotacionih veza	9
Particioni koeficijent^[1] (ALogP)	4,6
Rastvorljivost^[2] (logS, log(mol/L))	-5,5
Polarna površina^[3] (PSA, Å²)	29,5

^ 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.