Sulfalen je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 280,303 Da.[1][2]

Sulfalen
Klinički podaci
Prodajno imeDalysep, Farmitalia 204/122, Kelfizin, Kelfizina
Drugs.comMonografija
Identifikatori
CAS broj152-47-6 ДаY
ATC kodNone
PubChemCID 9047
DrugBankDB00664 ДаY
ChemSpider8695 ДаY
KEGGC12616 ДаY
Hemijski podaci
FormulaC11H12N4O3S
Molarna masa280,303
  • COC1=NC=CN=C1NS(=O)(=O)C1=CC=C(N)C=C1
  • InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15) ДаY
  • Key:KXRZBTAEDBELFD-UHFFFAOYSA-N ДаY
Fizički podaci
Tačka topljenja176 °C (349 °F)

Osobine уреди

Osobina Vrednost
Broj akceptora vodonika 6
Broj donora vodonika 2
Broj rotacionih veza 4
Particioni koeficijent[3] (ALogP) 0,3
Rastvorljivost[4] (logS, log(mol/L)) -2,4
Polarna površina[5] (PSA, Å2) 115,6

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