Etakridin laktat

Etakridin laktat
Klinički podaci

Drugs.com	lactate.html Monografija
Identifikatori
CAS broj	1837-57-6^Y
ATC kod	B05CA08 (WHO) D08AA01
PubChem	CID 15789
ChemSpider	15012^Y
KEGG	D01248^Y
ChEMBL	CHEMBL582355^Y
Hemijski podaci
Formula	C₁₈H₂₁N₃O₄
Molarna masa	343,377
SMILES CCOc1ccc2Nc3cc(N)ccc3C(=N)c2c1.CC(O)C(=O)O
InChI InChI=1S/C15H15N3O.C3H6O3/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6)^Y Key:IYLLULUTZPKQBW-UHFFFAOYSA-N^Y

Etakridin laktat je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 343,377 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	5
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	2,2
Rastvorljivost^[2] (logS, log(mol/L))	-4,1
Polarna površina^[3] (PSA, Å²)	128,7

^ 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.