Petidinska kiselina

Izvor: Wikipedia
Petidinska kiselina
Klinički podaci
AHFS/Drugs.com acid.html Monografija
Identifikatori
CAS broj 3627-48-3
ATC kod nije dodeljen
PubChem[1][2] 101106
ChEMBL[3] CHEMBL1201376 YesY
Hemijski podaci
Formula C13H17NO2 
Mol. masa 219,280
SMILES eMolekuli & PubHem
Farmakoinformacioni podaci
Trudnoća  ?
Pravni status

Petidinska kiselina je organsko jedinjenje, koje sadrži 13 atoma ugljenika i ima molekulsku masu od 219,280 Da.

Osobine[uredi - уреди]

Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 1
Broj rotacionih veza 2
Particioni koeficijent[4] (ALogP) -1,2
Rastvorljivost[5] (logS, log(mol/L)) -2,3
Polarna površina[6] (PSA, Å2) 40,5

Reference[uredi - уреди]

  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[uredi - уреди]

Spoljašnje veze[uredi - уреди]