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Katinon

С Википедије, слободне енциклопедије
Katinon
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj71031-15-7ДаY
ATC kodNone
PubChemCID62258
DrugBankDB01560ДаY
ChemSpider56062ДаY
KEGGC08301ДаY
Hemijski podaci
FormulaC9H11NO
Molarna masa149,190
  • C[C@H](N)C(=O)C1=CC=CC=C1
  • InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1ДаY
  • Key:PUAQLLVFLMYYJJ-ZETCQYMHSA-NДаY

Katinonjeorgansko jedinjenje,koje sadrži 9atomaugljenikai imamolekulsku masuod 149,190Da.[1][2][3]

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 1
Broj rotacionih veza 2
Particioni koeficijent[4](ALogP) 1,1
Rastvorljivost[5](logS,log(mol/L)) -2,0
Polarna površina[6](PSA,Å2) 43,1
  1. ^Bentur Y, Bloom-Krasik A, Raikhlin-Eisenkraft B: Illicit cathinone (Hagigat) poisoning. Clin Toxicol (Phila). 2007 Aug 15;:1-5.PMID17852166
  2. ^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.PMC3013709Слободан приступ.PMID21059682.doi:10.1093/nar/gkq1126.
  3. ^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.PMC2238889Слободан приступ.PMID18048412.doi:10.1093/nar/gkm958.
  4. ^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.
  5. ^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.PMID11749573.doi:10.1021/ci000392t.
  6. ^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.PMID11020286.doi:10.1021/jm000942e.