Dezocin

Dezocin
Klinički podaci
Drugs.comMonografija
Farmakokinetički podaci
Poluvreme eliminacije2,2 h
Identifikatori
CAS broj53648-55-8 ДаY
ATC kodN02AX03 (WHO)
PubChemCID 3033053
DrugBankDB01209 ДаY
ChemSpider2297867 ДаY
KEGGC08010 ДаY
ChEBICHEBI:4474 ДаY
ChEMBLCHEMBL1685 ДаY
Hemijski podaci
FormulaC16H23NO
Molarna masa245,360
  • [H][C@@]12CC3=CC=C(O)C=C3[C@@](C)(CCCCC1)[C@H]2N
  • InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1 ДаY
  • Key:VTMVHDZWSFQSQP-VBNZEHGJSA-N ДаY

Dezocin je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 245,360 Da.[1][2]

Osobine

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 2
Broj rotacionih veza 0
Particioni koeficijent[3] (ALogP) 3,5
Rastvorljivost[4] (logS, log(mol/L)) -4,6
Polarna površina[5] (PSA, Å2) 46,3

Reference

  1. ^ 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 3013709Слободан приступ. PMID 21059682. doi:10.1093/nar/gkq1126.  уреди
  2. ^ 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 2238889Слободан приступ. PMID 18048412. doi:10.1093/nar/gkm958.  уреди
  3. ^ 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. 
  4. ^ 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.  уреди
  5. ^ 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.  уреди

Literatura

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