Benzonatat je organsko jedinjenje, koje sadrži 30 atoma ugljenika i ima molekulsku masu od 603,742 Da.[1][2][3]

Benzonatat
Klinički podaci
Prodajno imeBenzononantin, Exangit, Tesalon, Tessalin
Drugs.comMonografija
Način primeneOralno
Farmakokinetički podaci
Poluvreme eliminacije3-8 h
Identifikatori
CAS broj104-31-4 ДаY
ATC kodR05DB01 (WHO)
PubChemCID 7699
DrugBankDB00868 ДаY
ChemSpider7413 ДаY
ChEBICHEBI:3032 ДаY
ChEMBLCHEMBL1200369 ДаY
Hemijski podaci
FormulaC30H53NO11
Molarna masa603,742
  • CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC
  • InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3 ДаY
  • Key:MAFMQEKGGFWBAB-UHFFFAOYSA-N ДаY

Osobine

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Osobina Vrednost
Broj akceptora vodonika 12
Broj donora vodonika 1
Broj rotacionih veza 33
Particioni koeficijent[4] (ALogP) 1,6
Rastvorljivost[5] (logS, log(mol/L)) -6,3
Polarna površina[6] (PSA, Å2) 121,4

Reference

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  1. ^ Cohen V, Jellinek SP, Stansfield L, Truong H, Baseluos C, Marshall JP: Cardiac arrest with residual blindness after overdose of tessalon(R) (benzonatate) perles. J Emerg Med. 2009 Nov 4. PMID 19892505
  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. 
  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. 
  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. 
  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. 

Literatura

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Spoljašnje veze

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