Radotinib

Radotinib
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 926037-48-1
ATC kod ?
Hemijski podaci
Formula C27H21F3N8O 
Mol. masa 530,504
SMILES eMolekuli & PubHem
InChI
InChI=1S/C27H21F3N8O/c1-16-3-4-18(9-23(16)37-26-33-6-5-22(36-26)24-13-31-7-8-32-24)25(39)35-20-10-19(27(28,29)30)11-21(12-20)38-14-17(2)34-15-38/h3-15H,1-2H3,(H,35,39)(H,33,36,37)
Key: DUPWHXBITIZIKZ-UHFFFAOYSA-N DaY
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Radotinib je organsko jedinjenje, koje sadrži 27 atoma ugljenika i ima molekulsku masu od 530,504 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 8
Broj donora vodonika 2
Broj rotacionih veza 7
Particioni koeficijent[1] (ALogP) 5,0
Rastvorljivost[2] (logS, log(mol/L)) -8,9
Polarna površina[3] (PSA, Å2) 114,0

Reference

  1. ↑ 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. 
  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. DOI:10.1021/ci000392t. PMID 11749573. 
  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. DOI:10.1021/jm000942e. PMID 11020286. 

Literatura

  • Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7. 
  • Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9. 

Spoljašnje veze

Portal Medicina
Portal Hemija
Radotinib na Wikimedijinoj ostavi
  • Radotinib