Valaciklovir je organsko jedinjenje, koje sadrži 13 atoma ugljenika i ima molekulsku masu od 324,336 Da.[1][2][3][4]

Valaciklovir
Klinički podaci
Prodajno imeValtrex, Zelitrex
Drugs.comMonografija
Način primeneOralno
Farmakokinetički podaci
Poluvreme eliminacije2,5-3,3 h
Identifikatori
CAS broj124832-27-5 ДаY
ATC kodJ05AB11 (WHO)
PubChemCID 60773
DrugBankDB00577 ДаY
ChemSpider54770 ДаY
KEGGC07184 ДаY
ChEMBLCHEMBL1349 ДаY
Hemijski podaci
FormulaC13H20N6O4
Molarna masa324,336
  • CC(C)[C@H](N)C(=O)OCCOCN1C=NC2=C1NC(N)=NC2=O
  • InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1 ДаY
  • Key:HDOVUKNUBWVHOX-QMMMGPOBSA-N ДаY

Osobine уреди

Osobina Vrednost
Broj akceptora vodonika 9
Broj donora vodonika 3
Broj rotacionih veza 8
Particioni koeficijent[5] (ALogP) -0,7
Rastvorljivost[6] (logS, log(mol/L)) -2,1
Polarna površina[7] (PSA, Å2) 146,8

Reference уреди

  1. ^ O'Brien JJ, Campoli-Richards DM: Acyclovir. An updated review of its antiviral activity, pharmacokinetic properties and therapeutic efficacy. Drugs. 1989 Mar;37(3):233-309. PMID 2653790
  2. ^ Umapathy NS, Ganapathy V, Ganapathy ME: Transport of amino acid esters and the amino-acid-based prodrug valganciclovir by the amino acid transporter ATB(0,+). Pharm Res. 2004 Jul;21(7):1303-10. PMID 15290873
  3. ^ 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
  4. ^ 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
  5. ^ 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. 
  6. ^ 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
  7. ^ 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


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