Moksonidin

Moksonidin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	75438-57-2^Y
ATC kod	C02AC05 (WHO)
PubChem	CID 4810
ChemSpider	4645^Y
UNII	CC6X0L40GW^Y
KEGG	D05087^Y
ChEMBL	CHEMBL19236^Y
Hemijski podaci
Formula	C₉H₁₂ClN₅O
Molarna masa	241,677
SMILES COc1nc(C)nc(Cl)c1NC2=NCCN2
InChI InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)^Y Key:WPNJAUFVNXKLIM-UHFFFAOYSA-N^Y

Moksonidin je organsko jedinjenje, koje sadrži 9 atoma ugljenika i ima molekulsku masu od 241,677 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	2
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	0,6
Rastvorljivost^[2] (logS, log(mol/L))	-2,2
Polarna površina^[3] (PSA, Å²)	71,4

^ 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.