Org 20599
| Org 20599 | |||
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| Identifikacija | |||
| CAS registarski broj | 156685-94-8  Y | ||
| PubChem[1][2] | 656747 | ||
| Jmol-3D slike | Slika 1 | ||
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| Svojstva | |||
| Molekulska formula | C25H40ClNO3 | ||
| Molarna masa | 438.04 g mol−1 | ||
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| Infobox references | |||
Org 20599 je organsko jedinjenje, koje sadrži 25 atoma ugljenika i ima molekulsku masu od 438,043 Da.
Osobine
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 4 |
| Broj donora vodonika | 1 |
| Broj rotacionih veza | 3 |
| Particioni koeficijent[3] (ALogP) | 3,8 |
| Rastvorljivost[4] (logS, log(mol/L)) | -5,7 |
| Polarna površina[5] (PSA, Å2) | 49,8 |
Reference
- ↑ 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
- ↑ 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.
- ↑ 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. DOI:10.1021/ci000392t. PMID 11749573.
- ↑ 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
- Clayden Jonathan, Nick Greeves, Stuart Warren, Peter Wothers (2001). Organic chemistry. Oxford, Oxfordshire: Oxford University Press. ISBN 0-19-850346-6.
- Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th izd.). New York: Wiley-Interscience. ISBN 0-471-72091-7.
- Katritzky A.R., Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry. Academic Press. ISBN 0080429882.
Spoljašnje veze
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Org 20599 na Wikimedijinoj ostavi
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Dialkil-fenoli | |||||||||
CL-218,872 • Eszopiklon • Indiplon • Nekopidem • Pazinaklon • ROD-188 • Saripidem • Suproklon • Suriklon • SX-3228 • U-89843A • U-90042 • Zaleplon • Zolpidem • Zopiklon | |||||||||
Neuroaktivni steroidi | Acebrokol • Alopregnanolon • Alfadolon • Alfaksolon • Eltanolon • Ganaksolon • Hidroksidion • Minaksolon • Org 20599 • Org 21465 • Tetrahidrodeoksi-kortikosteron |
receptor
Acetilholinski receptor
α1- adrenergički
Selektivni 5-HT2A & α1-adrenergički antagonisti |
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GHB receptor
GHB Tip |
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Oreksinski antagonisti |
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negrupisani
Drugi | 2-Metil-2-butanol • Acekarbromal • Acetofenon • Apronal • Bromidi • Bromizoval • Karbromal • Hloralosa • Klometiazol • Embutramid • Etomidat • Evoksin • Fenadiazol • Gaboksadol • Loreklezol • Mefenoksalon • Sulfonmetan • Trihloroetanol • Triklofos • Valerian • Valnoktamid |
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