Etilmorfin

Etilmorfin
Klinički podaci
Prodajno imeCodethyline, Dionina, Lepheton
Drugs.comMonografija
Identifikatori
CAS broj76-58-4 ДаY
ATC kodR05DA01 (WHO), S01XA06
PubChemCID 5359271
DrugBankDB01466 ДаY
ChemSpider4514250 ДаY
KEGGC07537 ДаY
Hemijski podaci
FormulaC19H23NO3
Molarna masa313,391
  • [H][C@@]12OC3=C(OCC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O
  • InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1 ДаY
  • Key:OGDVEMNWJVYAJL-LEPYJNQMSA-N ДаY
Fizički podaci
Tačka topljenja199—201 °C (390—394 °F)

Etilmorfin je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 313,391 Da.[1][2][3][4]

Osobine

Osobina Vrednost
Broj akceptora vodonika 4
Broj donora vodonika 1
Broj rotacionih veza 2
Particioni koeficijent[5] (ALogP) 2,0
Rastvorljivost[6] (logS, log(mol/L)) -3,0
Polarna površina[7] (PSA, Å2) 41,9

Reference

  1. ^ Aasmundstad TA, Xu BQ, Johansson I, Ripel A, Bjorneboe A, Christophersen AS, Bodd E, Morland J: Biotransformation and pharmacokinetics of ethylmorphine after a single oral dose. Br J Clin Pharmacol. 1995 Jun;39(6):611-20. PMID 7654478
  2. ^ Xu BQ, Aasmundstad TA, Lillekjendlie B, Bjorneboe A, Christophersen AS, Morland J: Effects of ethanol on ethylmorphine metabolism in isolated rat hepatocytes: characterization by means of a multicom partmental model. Pharmacol Toxicol. 1997 Apr;80(4):171-81. PMID 9140136
  3. ^ 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. 
  4. ^ 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. 
  5. ^ 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. 
  6. ^ 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. 
  7. ^ 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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