Bendroflumetiazid

Bendroflumetiazid
Klinički podaci
Prodajno imeAprinox, Bentride, Benuron, Benzy-Rodiuran
Drugs.comMonografija
Farmakokinetički podaci
Poluvreme eliminacije8,5 h
Identifikatori
CAS broj73-48-3 ДаY
ATC kodC03AA01 (WHO)
PubChemCID 2315
DrugBankDB00436 ДаY
ChemSpider2225 ДаY
KEGGC07758 ДаY
ChEBICHEBI:3013 ДаY
ChEMBLCHEMBL1684 ДаY
Hemijski podaci
FormulaC15H14F3N3O4S2
Molarna masa421,415
  • NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F
  • InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23) ДаY
  • Key:HDWIHXWEUNVBIY-UHFFFAOYSA-N ДаY
Fizički podaci
Tačka topljenja221—223 °C (430—433 °F)

Bendroflumetiazid je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 421,415 Da.[1][2]

Osobine

Osobina Vrednost
Broj akceptora vodonika 5
Broj donora vodonika 3
Broj rotacionih veza 4
Particioni koeficijent[3] (ALogP) 1,9
Rastvorljivost[4] (logS, log(mol/L)) -4,9
Polarna površina[5] (PSA, Å2) 135,1

Reference

  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 Слободан приступ. PMID 21059682. doi:10.1093/nar/gkq1126. 
  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 Слободан приступ. PMID 18048412. doi:10.1093/nar/gkm958. 
  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. 
  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. 

Literatura

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