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

Vanokserin
Klinički podaci
Prodajno imeAcetophenone, 2-chloro-, 2,4-(dinitrophenyl)hydrazone, Ethanone, 2-chloro-1-phenyl-, (2,4-dinitrophenyl)hydrazone
Drugs.comMonografija
Identifikatori
ATC kodNone
PubChemCID 5361022
DrugBankDB03701 ДаY
ChemSpider3337 ДаY
ChEMBLCHEMBL281594 ДаY
Hemijski podaci
FormulaC14H11ClN4O4
Molarna masa334,715
  • [O-][N+](=O)C1=CC(=C(N\N=C(/CCl)C2=CC=CC=C2)C=C1)[N+]([O-])=O
  • InChI=1S/C14H11ClN4O4/c15-9-13(10-4-2-1-3-5-10)17-16-12-7-6-11(18(20)21)8-14(12)19(22)23/h1-8,16H,9H2/b17-13+ ДаY
  • Key:HNLCJXKVYWWDTN-GHRIWEEISA-N ДаY

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. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126.  уреди
  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. PMC 2238889 . PMID 18048412. doi:10.1093/nar/gkm958.  уреди
  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. PMID 11749573. doi:10.1021/ci000392t.  уреди
  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. PMID 11020286. doi:10.1021/jm000942e.  уреди

Literatura уреди

Spoljašnje veze уреди