Midekamicin

Midekamicin
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 35457-80-8
ATC kod J01FA03
PubChem[1][2] 5382853
ChemSpider[3] 4445365
UNII N34Z0Y5UH7 DaY
KEGG[4] D01339 DaY
Hemijski podaci
Formula C41H67NO15 
Mol. masa 813,968
SMILES eMolekuli & PubHem
InChI
InChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,28+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41+/m1/s1
Key: DMUAPQTXSSNEDD-SRZVOVDCSA-N DaY
Fizički podaci
Tačka topljenja 155 °C (311 °F)
Rastvorljivost u voda Soluble in acidic/low pH water; Very soluble in methanol, chloroform, ethyl acetate, benzene, ethyl ether; Almost completely in ethanol(>95.5) mg/mL (20 °C)
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Midekamicin je organsko jedinjenje, koje sadrži 41 atom ugljenika i ima molekulsku masu od 813,968 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 16
Broj donora vodonika 3
Broj rotacionih veza 14
Particioni koeficijent[5] (ALogP) 2,9
Rastvorljivost[6] (logS, log(mol/L)) -6,3
Polarna površina[7] (PSA, Å2) 206,0

Reference

  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. ↑ 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. ↑ 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. 
  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. DOI:10.1021/ci000392t. PMID 11749573. 
  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. DOI:10.1021/jm000942e. PMID 11020286. 

Literatura

  • Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7. 
  • Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9. 

Spoljašnje veze

Portal Medicina
Portal Hemija
Midekamicin na Wikimedijinoj ostavi
  • Midecamycin
  • p
  • r
  • u
30S
Tetraciklini
50S
EF-G
Steroidni antibiotici

M: BAC

bact (clas)

gr+f/gr+a (t)/gr-p (c)/gr-o

drug (J1p, w, n, m, vacc)