Dihloralfenazon

Dihloralfenazon
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj480-30-8 ДаY
ATC kodNone
PubChemCID 10188
DrugBankDB01495 ДаY
ChemSpider9776 ДаY
Hemijski podaci
FormulaC15H18Cl6N2O5
Molarna masa519,032
  • OC(O)C(Cl)(Cl)Cl.OC(O)C(Cl)(Cl)Cl.CN1N(C(=O)C=C1C)C1=CC=CC=C1
  • InChI=1S/C11H12N2O.2C2H3Cl3O2/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;2*3-2(4,5)1(6)7/h3-8H,1-2H3;2*1,6-7H ДаY
  • Key:ATKXDQOHNICLQW-UHFFFAOYSA-N ДаY
Fizički podaci
Tačka topljenja68 °C (154 °F)

Dihloralfenazon je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 519,032 Da.[1][2][3]

Osobine

Osobina Vrednost
Broj akceptora vodonika 6
Broj donora vodonika 4
Broj rotacionih veza 3
Particioni koeficijent[4] (ALogP) 3,0
Rastvorljivost[5] (logS, log(mol/L)) -7,2
Polarna površina[6] (PSA, Å2) 104,5

Reference

  1. ^ Hindmarch I, Parrott AC: The effects of combined sedative and anxiolytic preparations on subjective aspects of sleep and objective measures of arousal and performance the morning following nocturnal medication. I: Acute doses. Arzneimittelforschung. 1980;30(6):1025-8. PMID 6106498
  2. ^ 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 Слободан приступ. PMID 21059682. doi:10.1093/nar/gkq1126.  уреди
  3. ^ 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 Слободан приступ. PMID 18048412. doi:10.1093/nar/gkm958.  уреди
  4. ^ 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. 
  5. ^ 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
  6. ^ 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

Spoljašnje veze

Dihloralfenazon на Викимедијиној остави.