8A-PDHQ

8A-PDHQ
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj131556-11-1 ДаY
ATC kodNone
PubChemCID 131397
ChemSpider116144 ДаY
Hemijski podaci
FormulaC15H21N
Molarna masa215,334
SMILES
  • C1CCC2(NCCCC2C1)c3ccccc3
InChI
  • InChI=1S/C15H21N/c1-2-7-13(8-3-1)15-11-5-4-9-14(15)10-6-12-16-15/h1-3,7-8,14,16H,4-6,9-12H2 ДаY
  • Key:QEXADSRMRUUCQJ-UHFFFAOYSA-N ДаY

8A-PDHQ je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 215,334 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 1
Broj donora vodonika 1
Broj rotacionih veza 1
Particioni koeficijent[1] (ALogP) 3,4
Rastvorljivost[2] (logS, log(mol/L)) -4,8
Polarna površina[3] (PSA, Å2) 12,0

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

  • Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803. 
  • Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799. 

Spoljašnje veze

8A-PDHQ na Vikimedijinoj ostavi.
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