Benzkvinamid

Izvor: Wikipedia
Benzkvinamid
Klinički podaci
Robne marke Benzchinamide, Emete-con, Emeticon, Promecon
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 63-12-7
ATC kod nije dodeljen
PubChem[1][2] 2342
DrugBank DB00767
ChemSpider[3] 2252
ChEBI CHEBI:27662 YesY
ChEMBL[4] CHEMBL1201250 YesY
Hemijski podaci
Formula C22H32N2O5 
Mol. masa 404,500
SMILES eMolekuli & PubHem
Fizički podaci
Tačka topljenja 131 °C (268 °F)
Farmakokinetički podaci
Poluvreme eliminacije 1-1,6 h
Farmakoinformacioni podaci
Trudnoća  ?
Pravni status

Benzkvinamid je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 404,500 Da.[5][6]

Osobine[uredi - уреди]

Osobina Vrednost
Broj akceptora vodonika 6
Broj donora vodonika 0
Broj rotacionih veza 7
Particioni koeficijent[7] (ALogP) 1,8
Rastvorljivost[8] (logS, log(mol/L)) -3,3
Polarna površina[9] (PSA, Å2) 68,3

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. 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. doi:10.1093/nar/gkr777. PMID 21948594.  edit
  5. 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. 
  6. Nucleic Acids Res (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. 
  7. 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. 
  8. 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. 
  9. 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[uredi - уреди]

Spoljašnje veze[uredi - уреди]