Zometapin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Zometapin

Zometapin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	51022-73-2^Y
ATC kod	None
PubChem	CID 5361110
ChemSpider	4514671^Y
UNII	9171J97IQP^Y
Hemijski podaci
Formula	C₁₄H₁₅ClN₄
Molarna masa	274,749
SMILES CN1NC(=C2C1=NCCN=C2c3cccc(Cl)c3)C
InChI InChI=1S/C14H15ClN4/c1-9-12-13(10-4-3-5-11(15)8-10)16-6-7-17-14(12)19(2)18-9/h3-5,8,18H,6-7H2,1-2H3^Y Key:CJGOZEVWXQGMCS-UHFFFAOYSA-N^Y

Zometapin je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 274,749 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	1,8
Rastvorljivost^[2] (logS, log(mol/L))	-3,1
Polarna površina^[3] (PSA, Å²)	40,0

^ 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.