Trional
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| Klinički podaci | |||
|---|---|---|---|
| AHFS/Drugs.com | Monografija | ||
| Identifikatori | |||
| CAS broj | 76-20-0 | ||
| ATC kod | nije dodeljen | ||
| PubChem[1][2] | 6433 | ||
| ChemSpider[3] | 6193 | ||
| UNII | 217727W28W 
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| Hemijski podaci | |||
| Formula | C8H18O4S2 | ||
| Mol. masa | 242,356 | ||
| SMILES | eMolekuli & PubHem | ||
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| Farmakoinformacioni podaci | |||
| Trudnoća | ? | ||
| Pravni status | |||
Trional je organsko jedinjenje, koje sadrži 8 atoma ugljenika i ima molekulsku masu od 242,356 Da.
Osobine[uredi - уреди | uredi izvor]
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 4 |
| Broj donora vodonika | 0 |
| Broj rotacionih veza | 5 |
| Particioni koeficijent[4] (ALogP) | 0,8 |
| Rastvorljivost[5] (logS, log(mol/L)) | -1,8 |
| Polarna površina[6] (PSA, Å2) | 85,0 |
Reference[uredi - уреди | uredi izvor]
- ↑ 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. PMID 20970519. doi:10.1016/j.drudis.2010.10.003.
- ↑ 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.
- ↑ 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. PMID 20331846. doi:10.1186/1758-2946-2-3.
- ↑ 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.
- ↑ 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.
- ↑ 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[uredi - уреди | uredi izvor]
- Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7. http://books.mcgraw-hill.com/medical/goodmanandgilman/.
- Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9. http://www.lww.com/productTOC/?ISBN=978-0-7817-6879-5.
