Joheksol

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Joheksol
Klinički podaci
Robne marke Exypaque, Histodenz, Nycodenz, Omnipaque
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 66108-95-0
ATC kod V08AB02
PubChem[1][2] 3730
DrugBank DB01362
ChemSpider[3] 3599
ChEMBL[4] CHEMBL1200455 YesY
Hemijski podaci
Formula C19H26I3N3O9 
Mol. masa 821,138
SMILES eMolekuli & PubHem
Fizički podaci
Tačka topljenja 174-180 °C (-118 °F)
Farmakokinetički podaci
Poluvreme eliminacije 3,4 h
Izlučivanje Renalno
Farmakoinformacioni podaci
Trudnoća ?
Pravni status
Način primene Intravaskularno

Joheksol je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 821,138 Da.[5][6][7][8]

Osobine[uredi - уреди | uredi izvor]

Osobina Vrednost
Broj akceptora vodonika 9
Broj donora vodonika 8
Broj rotacionih veza 12
Particioni koeficijent[9] (ALogP) -1,8
Rastvorljivost[10] (logS, log(mol/L)) -4,0
Polarna površina[11] (PSA, Å2) 199,9

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. 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
  5. Kawada TK: Iohexol and iopamidol: second-generation nonionic radiographic contrast media. Drug Intell Clin Pharm. 1985 Jul-Aug;19(7-8):525-9. PMID 3896713
  6. Shaw DD, Potts DG: Toxicology of iohexol. Invest Radiol. 1985 Jan-Feb;20(1 Suppl):S10-3. PMID 3882609
  7. 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
  8. 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
  9. 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. 
  10. 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
  11. 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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