Sigma metrics as a valuable tool for effective analytical performance and quality control planning in the clinical laboratory: A retrospective study

Fenmetrazin
Klinički podaci
Prodajno imeBromadryl, Cafilon, Marsin, Mefolin
Drugs.comMonografija
Farmakokinetički podaci
Poluvreme eliminacije16 - 31 h
Identifikatori
CAS broj134-49-6 ДаY
ATC kodNone
PubChemCID 4762
DrugBankDB00830 ДаY
ChemSpider4598 ДаY
KEGGC07432 ДаY
ChEMBLCHEMBL1201208 ДаY
Hemijski podaci
FormulaC11H15NO
Molarna masa177,243
  • CC1NCCOC1C1=CC=CC=C1
  • InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3 ДаY
  • Key:OOBHFESNSZDWIU-UHFFFAOYSA-N ДаY
Fizički podaci
Tačka topljenja139 °C (282 °F)

Fenmetrazin je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 177,243 Da.[1][2]

Osobine

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 1
Broj rotacionih veza 1
Particioni koeficijent[3] (ALogP) 1,5
Rastvorljivost[4] (logS, log(mol/L)) -2,2
Polarna površina[5] (PSA, Å2) 21,3

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 3013709Слободан 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 2238889Слободан 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

Spoljašnje veze