Vanokserin

Из Википедије, слободне енциклопедије
Vanokserin
Vanoxerine.png
Vanoxerine ball-and-stick.png
Klinički podaci
Prodajno ime Acetophenone, 2-chloro-, 2,4-(dinitrophenyl)hydrazone, Ethanone, 2-chloro-1-phenyl-, (2,4-dinitrophenyl)hydrazone
Drugs.com Monografija
Identifikatori
ATC kod None
PubChem CID 5361022
DrugBank DB03701 ДаY
ChemSpider 3337 ДаY
ChEMBL CHEMBL281594 ДаY
Hemijski podaci
Formula C14H11ClN4O4
Molarna masa 334,715

Vanokserin je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 334,715 Da.[1][2]

Osobine[уреди]

Osobina Vrednost
Broj akceptora vodonika 6
Broj donora vodonika 1
Broj rotacionih veza 6
Particioni koeficijent[3] (ALogP) 3,8
Rastvorljivost[4] (logS, log(mol/L)) -6,1
Polarna površina[5] (PSA, Å2) 116,0

Reference[уреди]

  1. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035—41. doi:10.1093/nar/gkq1126. PMC 3013709. PMID 21059682.  edit
  2. David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research 36 (Database issue): D901—6. doi:10.1093/nar/gkm958. PMC 2238889. PMID 18048412.  edit
  3. 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. 
  4. 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.  edit
  5. 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.  edit

Literatura[уреди]

Spoljašnje veze[уреди]