Ezetimib/simvastatin

Ezetimib/simvastatin je organsko jedinjenje, koje sadrži 49 atoma ugljenika i ima molekulsku masu od 827,991 Da.

Ezetimib/simvastatin
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 444313-53-5
ATC kod C10BA02
ChemSpider[1] 21106308
Hemijski podaci
Formula C49H59F2NO8 
Mol. masa 827,991
SMILES eMolekuli & PubHem
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

OsobineUredi

Osobina Vrednost
Broj akceptora vodonika 8
Broj donora vodonika 3
Broj rotacionih veza 13
Particioni koeficijent[2] (ALogP) 9,3
Rastvorljivost[3] (logS, log(mol/L)) -13,1
Polarna površina[4] (PSA, Å2) 133,6

ReferenceUredi

  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.  edit
  2. 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. 
  3. 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. 
  4. 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. 

LiteraturaUredi

Spoljašnje vezeUredi

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