Tofizopam je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 382,453 Da.[1][2][3]

Tofizopam
Klinički podaci
Prodajno imeEmandaxin, Grandaxin, Seriel
Drugs.comMonografija
Farmakokinetički podaci
Poluvreme eliminacije6-8 h
Identifikatori
CAS broj22345-47-7 ДаY
ATC kodN05BA23 (WHO)
PubChemCID 5502
DrugBankDB08811 ДаY
ChemSpider5301 ДаY
ChEBICHEBI:518452 ДаY
ChEMBLCHEMBL404216 ДаY
Hemijski podaci
FormulaC22H26N2O4
Molarna masa382,453
  • CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1
  • InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3 ДаY
  • Key:RUJBDQSFYCKFAA-UHFFFAOYSA-N ДаY
Fizički podaci
Tačka topljenja1.565 °C (2.849 °F)

Osobine

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Osobina Vrednost
Broj akceptora vodonika 6
Broj donora vodonika 0
Broj rotacionih veza 6
Particioni koeficijent[4] (ALogP) 4,2
Rastvorljivost[5] (logS, log(mol/L)) -6,3
Polarna površina[6] (PSA, Å2) 61,6

Reference

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  1. ^ Rundfeldt C, Socala K, Wlaz P: The atypical anxiolytic drug, tofisopam, selectively blocks phosphodiesterase isoenzymes and is active in the mouse model of negative symptoms of psychosis. J Neural Transm. 2010 Nov;117(11):1319-25. Epub 2010 Oct 22. PMID 20967473
  2. ^ 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.  уреди
  3. ^ David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; 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.  уреди
  4. ^ Ghose, A.K.; Viswanadhan V.N. & 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. 
  5. ^ 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.  уреди
  6. ^ 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.  уреди

Literatura

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Spoljašnje veze

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