Parametadion

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Parametadion
Klinički podaci
Robne marke Isoethadione, Paradione, Paradione (TN), Parametadiona [INN-Spanish]
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 115-67-3
ATC kod N03AC01
PubChem[1][2] 8280
DrugBank DB00617
ChemSpider[3] 7979
KEGG[4] C07411 YesY
ChEMBL[5] CHEMBL1100 YesY
Hemijski podaci
Formula C7H11NO3 
Mol. masa 157,167
SMILES eMolekuli & PubHem
Fizički podaci
Tačka ključanja 101.5 °C (215 °F)
Farmakokinetički podaci
Poluvreme eliminacije 12 - 24 h
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Parametadion je organsko jedinjenje, koje sadrži 7 atoma ugljenika i ima molekulsku masu od 157,167 Da.[6][7][8][9]

Osobine[uredi - уреди | uredi izvor]

Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 0
Broj rotacionih veza 1
Particioni koeficijent[10] (ALogP) 1,0
Rastvorljivost[11] (logS, log(mol/L)) -0,8
Polarna površina[12] (PSA, Å2) 46,6

Reference[uredi - уреди | uredi izvor]

  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. PMID 20970519. doi:10.1016/j.drudis.2010.10.003.  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. 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 Cheminform 2 (1): 3. PMID 20331846. doi:10.1186/1758-2946-2-3.  edit
  4. 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. 
  5. 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. PMID 21948594. doi:10.1093/nar/gkr777.  edit
  6. Hoffman DJ, Chun AH: Paramethadione and metabolite serum levels in humans after a single oral paramethadione dose. J Pharm Sci. 1975 Oct;64(10):1702-3. PMID 1185541
  7. Feldman GL, Weaver DD, Lovrien EW: The fetal trimethadione syndrome: report of an additional family and further delineation of this syndrome. Am J Dis Child. 1977 Dec;131(12):1389-92. PMID 412416
  8. 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. PMC 3013709. PMID 21059682. doi:10.1093/nar/gkq1126.  edit
  9. 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 research 36 (Database issue): D901–6. PMC 2238889. PMID 18048412. doi:10.1093/nar/gkm958.  edit
  10. 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. 
  11. 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.  edit
  12. 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.  edit

Literatura[uredi - уреди | uredi izvor]

Spoljašnje veze[uredi - уреди | uredi izvor]

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