Elzasonan

Elzasonan
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	220322-05-4^Y
ATC kod	none
PubChem	CID 19544192
UNII	933PJL964R^Y
Hemijski podaci
Formula	C₂₃H₂₃N₃O₅
Molarna masa	421,446
SMILES CCc1ccc(OCc2cc(\C=C\C(=O)c3nn(C)cc3[N+](=O)[O-])ccc2OC)cc1
InChI InChI=1S/C23H23N3O5/c1-4-16-5-9-19(10-6-16)31-15-18-13-17(8-12-22(18)30-3)7-11-21(27)23-20(26(28)29)14-25(2)24-23/h5-14H,4,15H2,1-3H3/b11-7+^Y Key:STSDHNDGVKFHQG-YRNVUSSQSA-N^Y

Elzasonan je organsko jedinjenje, koje sadrži 23 atoma ugljenika i ima molekulsku masu od 421,446 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	0
Broj rotacionih veza	9
Particioni koeficijent^[1] (ALogP)	5,2
Rastvorljivost^[2] (logS, log(mol/L))	-7,6
Polarna površina^[3] (PSA, Å²)	99,2

^ 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.