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Salbutamol

Izvor: Wikipedija
Salbutamol
Klinički podaci
Robne markeAccuneb, Aerolin, Airomir, Asmaven
AHFS/Drugs.comMonografija
Identifikatori
CAS broj18559-94-9
ATC kodR03CC02 ,R03AC02
PubChem[1][2]2083
DrugBankDB01001
ChemSpider[3]1999
ChEBICHEBI:2549 DaY
ChEMBL[4]CHEMBL714 DaY
Hemijski podaci
FormulaC13H21NO3 
Mol. masa239,311
SMILESeMolekuli &PubHem
InChI
InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
Key: NDAUXUAQIAJITI-UHFFFAOYSA-N DaY
Fizički podaci
Tačka topljenja151 °C (304 °F)
Farmakokinetički podaci
Poluvreme eliminacije1,6 h
Farmakoinformacioni podaci
Trudnoća?
Pravni status
Način primeneRespiratorno (inhalacija), oralno

Salbutamol jeorgansko jedinjenje, koje sadrži 13atomaugljenika i imamolekulsku masu od 239,311Da.[5][6]

Osobine

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OsobinaVrednost
Broj akceptora vodonika4
Broj donora vodonika4
Broj rotacionih veza5
Particioni koeficijent[7] (ALogP)0,9
Rastvorljivost[8] (logS, log(mol/L))-2,3
Polarna površina[9] (PSA,Å2)72,7

Reference

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  1. ↑Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519.  edit
  2. ↑Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1. 
  3. ↑Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846.  edit
  4. ↑Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948594.  edit
  5. ↑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. DOI:10.1093/nar/gkq1126. PMC 3013709. PMID 21059682.  edit
  6. ↑David S. Wishart, Craig Knox, An Chi Guo, Dean Cheng, Savita Shrivastava, Dan Tzur, Bijaya Gautam, and Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic Acids Res 36 (Database issue): D901-6. DOI:10.1093/nar/gkm958. PMC 2238889. PMID 18048412.  edit
  7. ↑Ghose, A.K., Viswanadhan V.N., and 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. 
  8. ↑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. DOI:10.1021/ci000392t. PMID 11749573.  edit
  9. ↑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. DOI:10.1021/jm000942e. PMID 11020286.  edit

Literatura

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Vanjske veze

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Portal Medicina
Portal Hemija
Salbutamol naWikimedijinoj ostavi
Izvor:https://sh.wikipedia.org/w/index.php?title=Salbutamol&oldid=42275395
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