Dibromotirozin je organsko jedinjenje, koje sadrži 9 atoma ugljenika i ima molekulsku masu od 338,981 Da.[1][2]

Dibromotirozin
Klinički podaci
Drugs.comMonografija
Identifikatori
ATC kodNone
PubChemCID 67532
DrugBankDB07637 ДаY
ChemSpider60854 ДаY
ChEBICHEBI:28335 ДаY
Hemijski podaci
FormulaC9H9Br2NO3
Molarna masa338,981
  • [H][C@](N)(CC1=CC(Br)=C(O)C(Br)=C1)C(O)=O
  • InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 ДаY
  • Key:COESHZUDRKCEPA-ZETCQYMHSA-N ДаY
Osobina Vrednost
Broj akceptora vodonika 4
Broj donora vodonika 3
Broj rotacionih veza 3
Particioni koeficijent[3] (ALogP) -0,4
Rastvorljivost[4] (logS, log(mol/L)) -3,7
Polarna površina[5] (PSA, Å2) 83,5

Reference

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  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

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Spoljašnje veze

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