Samarijum (153Sm) leksidronam

Samarijum (153Sm) leksidronam

Klinički podaci
AHFS/Drugs.com	(153Sm) lexidronam.html Monografija
Identifikatori
ATC kod	V10BX02
PubChem[1][2]	9810246
UNII	745X144DZY^Y
ChEMBL[3]	CHEMBL1201796^Y
Hemijski podaci
Formula	C6H12N2Na5O12P4
Mol. masa	693,370
SMILES	eMolekuli & PubHem
InChI InChI=1S/C6H20N2O12P4.5Na.Sm/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;/q;5*+1;/p-8 Key: NSIATQGMQRDOCS-UHFFFAOYSA-F^Y
Farmakoinformacioni podaci
Trudnoća	?
Pravni status

Samarijum (153Sm) leksidronam je organsko jedinjenje, koje sadrži 6 atoma ugljenika i ima molekulsku masu od 693,370 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	14
Broj donora vodonika	0
Broj rotacionih veza	11
Particioni koeficijent[4] (ALogP)	-11,4
Rastvorljivost[5] (logS, log(mol/L))	6,9
Polarna površina[6] (PSA, Å^2)	622,2

Reference

1. Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519.  edit
2. Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1. 
3. Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948594.  edit
4. Ghose, A.K., Viswanadhan V.N., and 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. 
5. 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. DOI:10.1021/ci000392t. PMID 11749573. 
6. 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. DOI:10.1021/jm000942e. PMID 11020286. 

Literatura

• Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7. 
• Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9. 

Vanjske veze

	Portal Medicina
	Portal Hemija

• Samarium (153Sm) lexidronam