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5-MeO-DPT

Izvor: Wikipedija
5-MeO-DPT
Klinički podaci
AHFS/Drugs.comMonografija
Identifikatori
CAS broj2427-80-7
ATC kodnije dodeljen
ChemSpider[1]14106484
ChEMBL[2]CHEMBL169328 DaY
Hemijski podaci
FormulaC17H26N2O 
Mol. masa274,401
SMILESeMolekuli &PubHem
InChI
InChI=1S/C17H26N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h6-7,12-13,18H,4-5,8-11H2,1-3H3
Key: PNHPVNBKLQWBKH-UHFFFAOYSA-N DaY
Fizički podaci
Tačka topljenja193 °C (379 °F)
Farmakoinformacioni podaci
Trudnoća?
Pravni status

5-MeO-DPT jeorgansko jedinjenje, koje sadrži 17atomaugljenika i imamolekulsku masu od 274,401Da.

Osobine

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OsobinaVrednost
Broj akceptora vodonika2
Broj donora vodonika1
Broj rotacionih veza8
Particioni koeficijent[3] (ALogP)4,2
Rastvorljivost[4] (logS, log(mol/L))-4,7
Polarna površina[5] (PSA,Å2)28,3

Reference

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  1. 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 Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846.  edit
  2. 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
  3. 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. 
  4. 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. 
  5. 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
5-MeO-DPT naWikimedijinoj ostavi
Izvor:https://sh.wikipedia.org/w/index.php?title=5-MeO-DPT&oldid=42271076
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