Lizerginska kiselina 2-butil amid

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Lizerginska kiselina 2-butil amid
Klinički podaci
AHFS/Drugs.com acid 2-butyl amide.html Monografija
Identifikatori
CAS broj 137765-82-3
ATC kod nije dodeljen
PubChem[1][2] 15119692
Hemijski podaci
Formula C20H25N3O 
Mol. masa 323,432
SMILES eMolekuli & PubHem
Sinonimi (6aR,9R)- N- (R)- 2-butyl- 7-methyl- 4,6,6a,7,8,9- hexahydroindolo- [4,3-fg] quinoline- 9-carboxamide
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Lizerginska kiselina 2-butil amid je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 323,432 Da.

Osobine[uredi | uredi kod]

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 2
Broj rotacionih veza 3
Particioni koeficijent[3] (ALogP) 3,0
Rastvorljivost[4] (logS, log(mol/L)) -4,2
Polarna površina[5] (PSA, Å2) 48,1

Reference[uredi | uredi kod]

  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. 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[uredi | uredi kod]

Spoljašnje veze[uredi | uredi kod]