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Klinofibrat
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj30299-08-2 ДаY
ATC kodnone
PubChemCID 2787
ChemSpider21613360 ДаY
UNII0374EZJ8CU ДаY
KEGGD01300 ДаY
Hemijski podaci
FormulaC28H36O6
Molarna masa468,582
  • CCC(C)(Oc1ccc(cc1)C2(CCCCC2)c3cccc(OC(C)(CC)C(=O)O)c3)C(=O)O
  • InChI=1S/C28H36O6/c1-5-26(3,24(29)30)33-22-15-13-20(14-16-22)28(17-8-7-9-18-28)21-11-10-12-23(19-21)34-27(4,6-2)25(31)32/h10-16,19H,5-9,17-18H2,1-4H3,(H,29,30)(H,31,32) ДаY
  • Key:OGGAHXJZRRGBTK-UHFFFAOYSA-N ДаY

Klinofibrat je organsko jedinjenje, koje sadrži 28 atoma ugljenika i ima molekulsku masu od 468,582 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 6
Broj donora vodonika 2
Broj rotacionih veza 10
Particioni koeficijent[1] (ALogP) 6,8
Rastvorljivost[2] (logS, log(mol/L)) -8,3
Polarna površina[3] (PSA, Å2) 93,1

Reference

  1. ^ Ghose, A.K.; Viswanadhan V.N. & 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. 
  2. ^ 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. 
  3. ^ 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

Spoljašnje veze

source: https://sr.wikipedia.org/wiki/Klinofibrat