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Troparil

Izvor: Wikipedija
Troparil
Klinički podaci
AHFS/Drugs.comMonografija
Identifikatori
CAS broj74163-84-1
ATC kodnije dodeljen
PubChem[1][2]170832
ChEMBL[3]CHEMBL298684 DaY
Hemijski podaci
FormulaC16H21NO2 
Mol. masa259,343
SMILESeMolekuli &PubHem
InChI
InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14+,15-/m0/s1
Key: OMBOXYLBBHNWHL-YJNKXOJESA-N DaY
Fizički podaci
Tačka topljenja190 °C (374 °F)
Farmakoinformacioni podaci
Trudnoća?
Pravni status

Troparil jeorgansko jedinjenje, koje sadrži 16atomaugljenika i imamolekulsku masu od 259,343Da.

Osobine

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OsobinaVrednost
Broj akceptora vodonika3
Broj donora vodonika0
Broj rotacionih veza3
Particioni koeficijent[4] (ALogP)2,6
Rastvorljivost[5] (logS, log(mol/L))-2,8
Polarna površina[6] (PSA,Å2)29,5

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 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. 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
  4. 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. 
  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. DOI:10.1021/ci000392t. PMID 11749573. 
  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. DOI:10.1021/jm000942e. PMID 11020286. 

Literatura

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Vanjske veze

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Portal Medicina
Portal Hemija
Troparil naWikimedijinoj ostavi
Izvor:https://sh.wikipedia.org/w/index.php?title=Troparil&oldid=42275731
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