Etil biskumacetat

Izvor: Wikipedia
Etil biskumacetat
Klinički podaci
AHFS/Drugs.com biscoumacetate.html Monografija
Identifikatori
CAS broj 548-00-5
ATC kod B01AA08
PubChem[1][2] 11047
DrugBank DB08794
ChemSpider[3] 10579
ChEBI CHEBI:231177 YesY
Hemijski podaci
Formula C22H16O8 
Mol. masa 408,358
SMILES eMolekuli & PubHem
Fizički podaci
Tačka topljenja 154 °C (309 °F)
Farmakoinformacioni podaci
Trudnoća  ?
Pravni status

Etil biskumacetat je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 408,358 Da.[4][5]

Osobine[uredi - уреди]

Osobina Vrednost
Broj akceptora vodonika 8
Broj donora vodonika 2
Broj rotacionih veza 5
Particioni koeficijent[6] (ALogP) 3,5
Rastvorljivost[7] (logS, log(mol/L)) -4,5
Polarna površina[8] (PSA, Å2) 119,3

Reference[uredi - уреди]

  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. 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. doi:10.1186/1758-2946-2-3. PMID 20331846.  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. PMC 3013709. PMID 21059682.  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 research 36 (Database issue): D901–6. doi:10.1093/nar/gkm958. PMC 2238889. PMID 18048412.  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. A 102: 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. PMID 11749573.  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. PMID 11020286.  edit

Literatura[uredi - уреди]

Spoljašnje veze[uredi - уреди]

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