Pericijazin

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Pericijazin
Klinički podaci
Robne marke Neulactil, Neuleptil, Yaz
AHFS/Drugs Monografija
Identifikatori
CAS broj 2622-26-6
ATC kod N05AC01
PubChem[1][2] 4747
DrugBank DB01608
ChemSpider[3] 4585
ChEBI CHEBI:31981DaY
Hemijski podaci
Formula C21H23N3OS
Mol. masa 365,492
SMILES eMolekuli&PubHem
Fizički podaci
Tačka topljenja 116-117 °C (-63 °F)
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Pericijazinjeorgansko jedinjenje,koje sadrži 21atomugljenikai imamolekulsku masuod 365,492Da.[4][5]

Osobine

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Osobina Vrednost
Broj akceptora vodonika 5
Broj donora vodonika 1
Broj rotacionih veza 4
Particioni koeficijent[6](ALogP) 3,4
Rastvorljivost[7](logS,log(mol/L)) -4,7
Polarna površina[8](PSA,Å2) 75,8

Reference

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  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. 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.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 Res36(Database issue): D901-6.DOI:10.1093/nar/gkm958.PMC2238889.PMID18048412.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. A102:3762-3772.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.PMID11749573.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.PMID11020286.edit

Literatura

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Spoljašnje veze

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