4'-Metil-α-pirolidinobutiofenon

4'-Metil-α-pirolidinobutiofenon
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
ATC kod nije dodeljen
Hemijski podaci
Formula C15H21NO 
Mol. masa 231,333
SMILES eMolekuli & PubHem
InChI
InChI=1S/C15H21NO/c1-3-14(16-10-4-5-11-16)15(17)13-8-6-12(2)7-9-13/h6-9,14H,3-5,10-11H2,1-2H3
Key: NXNPGAAZKYDOPW-UHFFFAOYSA-N DaY
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

4'-Metil-α-pirolidinobutiofenon je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 231,333 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 0
Broj rotacionih veza 4
Particioni koeficijent[1] (ALogP) 3,5
Rastvorljivost[2] (logS, log(mol/L)) -3,4
Polarna površina[3] (PSA, Å2) 20,3

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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4'-Metil-α-pirolidinobutiofenon na Wikimedijinoj ostavi
  • 4'-Methyl-α-pyrrolidinobutiophenone