Difetarzon : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Difetarzon

Difetarzon
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	3639-19-8^Y
ATC kod	P01AR02 (WHO) QP51AD02
PubChem	CID 68199
ChemSpider	61506^Y
UNII	G4G9J3Q65W^Y
KEGG	D07357^Y
Hemijski podaci
Formula	C₁₄H₁₈As₂N₂O₆
Molarna masa	460,146
SMILES O[As](=O)(O)c1ccc(NCCNc2ccc(cc2)[As](=O)(O)O)cc1
InChI InChI=1S/C14H18As2N2O6/c19-15(20,21)11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(4-8-14)16(22,23)24/h1-8,17-18H,9-10H2,(H2,19,20,21)(H2,22,23,24)^Y Key:YQVALJGIKVYRNI-UHFFFAOYSA-N^Y

Difetarzon je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 460,146 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	8
Broj donora vodonika	6
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	2,4
Rastvorljivost^[2] (logS, log(mol/L))	-2,1
Polarna površina^[3] (PSA, Å²)	139,1

^ 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.