Kvinaprilat

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Hinaprilat
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 82768-85-2
ATC kod nije dodeljen
UNII 34SSX5LDE5 YesY
ChEMBL[1] CHEMBL1733 YesY
Hemijski podaci
Formula C23H26N2O5 
Mol. masa 410,463
SMILES eMolekuli & PubHem
Sinonimi CI-928
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Kvinaprilat je aktivni metabolit kvinaprila.[2] On je organsko jedinjenje, koje sadrži 23 atoma ugljenika i ima molekulsku masu od 410,463 Da.

Osobine[uredi - уреди | uredi izvor]

Osobina Vrednost
Broj akceptora vodonika 6
Broj donora vodonika 3
Broj rotacionih veza 8
Particioni koeficijent[3] (ALogP) 0,1
Rastvorljivost[4] (logS, log(mol/L)) -5,3
Polarna površina[5] (PSA, Å2) 106,9

Reference[uredi - уреди | uredi izvor]

  1. 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. PMID 21948594. doi:10.1093/nar/gkr777.  edit
  2. Ferry J J; Horvath A M; Sedman A J; Latts J R; Colburn W A (1987). "Influence of food on the pharmacokinetics of quinapril and its active diacid metabolite, CI-928". Journal of clinical pharmacology 27 (5): 397–399. 
  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. PMID 11749573. doi:10.1021/ci000392t. 
  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. PMID 11020286. doi:10.1021/jm000942e. 

Literatura[uredi - уреди | uredi izvor]