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Metrifonat

Izvor: Wikipedija
Metrifonat
Klinički podaci
AHFS/Drugs.comMonografija
Identifikatori
CAS broj52-68-6
ATC kodP02BB01QP52AB01QP53AF02
PubChem[1][2]5853
UNIIDBF2DG4G2K DaY
KEGG[3]C07971 DaY
Hemijski podaci
FormulaC4H8Cl3O4P 
Mol. masa257,437
SMILESeMolekuli &PubHem
InChI
InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3
Key: NFACJZMKEDPNKN-UHFFFAOYSA-N DaY
SinonimiTrichlorphon
Farmakoinformacioni podaci
Trudnoća?
Pravni status

Metrifonat jeorgansko jedinjenje, koje sadrži 4atomaugljenika i imamolekulsku masu od 257,437Da.

Osobine

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OsobinaVrednost
Broj akceptora vodonika4
Broj donora vodonika1
Broj rotacionih veza4
Particioni koeficijent[4] (ALogP)0,8
Rastvorljivost[5] (logS, log(mol/L))-1,9
Polarna površina[6] (PSA,Å2)65,6

Reference

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  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. Joanne Wixon, Douglas Kell (2000). „Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”. Yeast 17 (1): 48–55. DOI:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H. 
  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

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Vanjske veze

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Portal Medicina
Portal Hemija
Metrifonat naWikimedijinoj ostavi
Izvor:https://sh.wikipedia.org/w/index.php?title=Metrifonat&oldid=42274325
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