Lodenafil

Lodenafil
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 398507-55-6
ATC kod nije dodeljen
Hemijski podaci
Formula C43H54N12O9S2 
Mol. masa 947,094
SMILES eMolekuli & PubHem
InChI
InChI=1S/C43H54N12O9S2/c1-7-11-31-35-37(50(5)48-31)41(56)46-39(44-35)29-25-27(13-15-33(29)63-9-3)65(59,60)54-21-17-52(18-22-54)43(58)53-19-23-55(24-20-53)66(61,62)28-14-16-34(64-10-4)30(26-28)40-45-36-32(12-8-2)49-51(6)38(36)42(57)47-40/h13-16,25-26H,7-12,17-24H2,1-6H3,(H,44,46,56)(H,45,47,57)
Key: HJOMYDLPAYYXFR-UHFFFAOYSA-N DaY
Farmakoinformacioni podaci
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Pravni status

Lodenafil je organsko jedinjenje, koje sadrži 43 atoma ugljenika i ima molekulsku masu od 947,094 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 15
Broj donora vodonika 2
Broj rotacionih veza 14
Particioni koeficijent[1] (ALogP) 3,6
Rastvorljivost[2] (logS, log(mol/L)) -7,4
Polarna površina[3] (PSA, Å2) 252,1

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

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Portal Hemija
Lodenafil na Wikimedijinoj ostavi
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