Klamoksikvin

Klamoksikvin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	2545-39-3^Y
ATC kod	none
PubChem	CID 18029
ChemSpider	17033^Y
UNII	JUN13FZ6RF^Y
Hemijski podaci
Formula	C₁₇H₂₄ClN₃O
Molarna masa	321,845
SMILES CCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O
InChI InChI=1S/C17H24ClN3O/c1-3-21(4-2)10-6-8-19-12-13-11-15(18)14-7-5-9-20-16(14)17(13)22/h5,7,9,11,19,22H,3-4,6,8,10,12H2,1-2H3^Y Key:HOFHLRCDGWSLHX-UHFFFAOYSA-N^Y

Klamoksikvin je organsko jedinjenje, koje sadrži 17 atoma ugljenika i ima molekulsku masu od 321,845 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	2
Broj rotacionih veza	8
Particioni koeficijent^[1] (ALogP)	2,9
Rastvorljivost^[2] (logS, log(mol/L))	-4,7
Polarna površina^[3] (PSA, Å²)	48,4

^ 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.