Orfenadrin

Iz Wikipedije, slobodne enciklopedije
Idi na navigaciju Idi na pretragu
Orfenadrin
Strukturna formula bez stereokemije
Klinički podaci
Robne marke Antiflex, Biorphen, Brocadisipal, Brocasipal
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 83-98-7
ATC kod M03BC01 , N04AB02
PubChem[1][2] 4601
DrugBank DB01173
ChemSpider[3] 4440
KEGG[4] C07935 YesY
ChEBI CHEBI:7789 YesY
ChEMBL[5] CHEMBL900 YesY
Hemijski podaci
Formula C18H23NO 
Mol. masa 269,381
SMILES eMolekuli & PubHem
Fizički podaci
Tačka ključanja 195 °C (383 °F)
Farmakokinetički podaci
Poluvreme eliminacije 13-20 h
Farmakoinformacioni podaci
Trudnoća ?
Pravni status
Način primene Intravenozno, oralno

Orfenadrin je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 269,381 Da.[6][7][8]

Osobine[uredi - уреди | uredi izvor]

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 0
Broj rotacionih veza 6
Particioni koeficijent[9] (ALogP) 3,9
Rastvorljivost[10] (logS, log(mol/L)) -4,8
Polarna površina[11] (PSA, Å2) 12,5

Stereokemija[uredi - уреди | uredi izvor]

Orphenadrin sadrži stereocentar i sastoji se od dva enantiomera. Ovo je racemat, tj. Smjesa od 1: 1 ( R ) i ( S ) - obrazac:[12]

Enantiomeri orphenadrine
(R)-Orphenadrin Structural Formula V1.svg
CAS-Nummer: 33425-91-1
(S)-Orphenadrin Structural Formula V1.svg
CAS-Nummer: 33425-89-7

Reference[uredi - уреди | uredi izvor]

  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. PMID 20970519. doi:10.1016/j.drudis.2010.10.003.  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. PMID 20331846. doi:10.1186/1758-2946-2-3.  edit
  4. Joanne Wixon, Douglas Kell (2000). "Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG". Yeast 17 (1): 48–55. doi:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H. 
  5. 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. PMID 21948594. doi:10.1093/nar/gkr777.  edit
  6. Ji D, Sui ZY, Ma YY, Luo F, Cui CL, Han JS: NMDA receptor in nucleus accumbens is implicated in morphine withdrawal in rats. Neurochem Res. 2004 Nov;29(11):2113-20. PMID 15662845
  7. 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. PMID 21059682. doi:10.1093/nar/gkq1126. 
  8. 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 research 36 (Database issue): D901–6. PMC 2238889. PMID 18048412. doi:10.1093/nar/gkm958. 
  9. 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. 
  10. 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. 
  11. 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. 
  12. Rote Liste Service GmbH (Hrsg.): Rote Liste 2017 – Arzneimittelverzeichnis für Deutschland (einschließlich EU-Zulassungen und bestimmter Medizinprodukte). Rote Liste Service GmbH, Frankfurt/Main, 2017, Aufl. 57, ISBN 978-3-946057-10-9, S. 207.

Literatura[uredi - уреди | uredi izvor]

Spoljašnje veze[uredi - уреди | uredi izvor]

Star of life.svg Molimo Vas, obratite pažnju na važno upozorenje u vezi tema o zdravlju (medicini).