Salsalat

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Salsalat
Klinički podaci
AHFS/Drugs Monografija
Identifikatori
CAS broj 552-94-3
ATC kod N02BA06
PubChem[1][2] 5161
DrugBank DB01399
ChemSpider[3] 4977
Hemijski podaci
Formula C14H10O5
Mol. masa 258,226
SMILES eMolekuli&PubHem
Fizički podaci
Tačka topljenja 147 °C (297 °F)
Farmakokinetičkipodaci
Poluvreme eliminacije 3,5 - 16 h
Farmakoinformacioni podaci
Trudnoća ?
Pravni status
Način primene Oralno

Salsalatjeorgansko jedinjenje,koje sadrži 14atomaugljenikai imamolekulsku masuod 258,226Da.[4][5]

Osobine

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Osobina Vrednost
Broj akceptora vodonika 5
Broj donora vodonika 2
Broj rotacionih veza 4
Particioni koeficijent[6](ALogP) 2,6
Rastvorljivost[7](logS,log(mol/L)) -3,0
Polarna površina[8](PSA,Å2) 83,8

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 Today15(23-24): 1052-7.DOI:10.1016/j.drudis.2010.10.003.PMID20970519.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 Chemistry4:217-241.DOI:10.1016/S1574-1400(08)00012-1.
  3. Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010).„Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”.J Cheminform2(1): 3.DOI:10.1186/1758-2946-2-3.PMID20331846.edit
  4. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011).„DrugBank 3.0: a comprehensive resource for omics research on drugs”.Nucleic Acids Res.39(Database issue): D1035-41.DOI:10.1093/nar/gkq1126.PMC3013709.PMID21059682.edit
  5. David S. Wishart, Craig Knox, An Chi Guo, Dean Cheng, Savita Shrivastava, Dan Tzur, Bijaya Gautam, and Murtaza Hassanali (2008).„DrugBank: a knowledgebase for drugs, drug actions and drug targets”.Nucleic Acids Res36(Database issue): D901-6.DOI:10.1093/nar/gkm958.PMC2238889.PMID18048412.edit
  6. 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. A102:3762-3772.DOI:10.1021/jp980230o.
  7. 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.PMID11749573.edit
  8. 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.PMID11020286.edit

Literatura

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Spoljašnje veze

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