Fludiazepam je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 302,731 Da.[1][2][3][4]

Fludiazepam
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj3900-31-0 ДаY
ATC kodN05BA17 (WHO)
PubChemCID 3369
DrugBankDB01567 ДаY
ChemSpider3252 ДаY
ChEBICHEBI:31618 ДаY
ChEMBLCHEMBL13291 ДаY
Hemijski podaci
FormulaC16H12ClFN2O
Molarna masa302,731
  • CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F
  • InChI=1S/C16H12ClFN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3 ДаY
  • Key:ROYOYTLGDLIGBX-UHFFFAOYSA-N ДаY
Fizički podaci
Tačka topljenja295—297 °C (563—567 °F)
Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 0
Broj rotacionih veza 1
Particioni koeficijent[5] (ALogP) 3,4
Rastvorljivost[6] (logS, log(mol/L)) -4,9
Polarna površina[7] (PSA, Å2) 32,7

Reference

уреди
  1. ^ Ishiwata K, Yanai K, Ido T, Miura-Kanno Y, Kawashima K: Synthesis and biodistribution of [11C]fludiazepam for imaging benzodiazepine receptors. Int J Rad Appl Instrum B. 1988;15(4):365-71. PMID 2855634
  2. ^ Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9. PMID 2857046
  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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Категорија:Бензодиазепини