Prijeđi na sadržaj

Aprobarbital

Izvor: Wikipedija
Aprobarbital
Klinički podaci
AHFS/Drugs Monografija
Identifikatori
CAS broj 77-02-1
ATC kod N05CA05
PubChem[1][2] 6464
DrugBank DB01352
ChemSpider[3] 29066
KEGG[4] C07826DaY
ChEBI CHEBI:2791DaY
ChEMBL[5] CHEMBL7863DaY
Hemijski podaci
Formula C10H14N2O3
Mol. masa 210,230
SMILES eMolekuli&PubHem
Fizički podaci
Tačka topljenja 141 °C (286 °F)
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Aprobarbitaljeorgansko jedinjenje,koje sadrži 10atomaugljenikai imamolekulsku masuod 210,230Da.[6][7]

Osobine

[uredi|uredi kod]
Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 2
Broj rotacionih veza 3
Particioni koeficijent[8](ALogP) 1,1
Rastvorljivost[9](logS,log(mol/L)) -2,2
Polarna površina[10](PSA,Å2) 75,3

Reference

[uredi|uredi kod]
  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. Joanne Wixon, Douglas Kell (2000).„Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”.Yeast17(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 Res40(Database issue): D1100-7.DOI:10.1093/nar/gkr777.PMID21948594.edit
  6. 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.
  7. 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.
  8. 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.
  9. 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.
  10. 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.

Literatura

[uredi|uredi kod]

Spoljašnje veze

[uredi|uredi kod]