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Propilheksedrin

Izvor: Wikipedija
Propilheksedrin
Klinički podaci
Robne markeBenzedrex, Dristan, Obesin
AHFS/Drugs.comMonografija
Identifikatori
CAS broj3595-11-7
ATC kodnije dodeljen
PubChem[1][2]7558
DrugBankDB06714
ChemSpider[3]7277
Hemijski podaci
FormulaC10H21N 
Mol. masa155,280
SMILESeMolekuli &PubHem
InChI
InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3
Key: JCRIVQIOJSSCQD-UHFFFAOYSA-N DaY
Farmakoinformacioni podaci
Trudnoća?
Pravni status
Način primeneNazalno

Propilheksedrin jeorgansko jedinjenje, koje sadrži 10atomaugljenika i imamolekulsku masu od 155,280Da.[4][5]

Osobine

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OsobinaVrednost
Broj akceptora vodonika1
Broj donora vodonika1
Broj rotacionih veza3
Particioni koeficijent[6] (ALogP)2,7
Rastvorljivost[7] (logS, log(mol/L))-3,1
Polarna površina[8] (PSA,Å2)12,0

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. 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
  5. 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
  6. 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. 
  7. 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
  8. 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
Propilheksedrin naWikimedijinoj ostavi
Izvor:https://sh.wikipedia.org/w/index.php?title=Propilheksedrin&oldid=42275170
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