Spiramicin

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Spiramicin
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 8025-81-8
ATC kod J01FA02 QJ51FA02
PubChem[1][2] 5356392
ChemSpider[3] 4512090
UNII 71ODY0V87H YesY
KEGG[4] D05908 YesY
ChEMBL[5] CHEMBL1256397 YesY
Hemijski podaci
Formula C43H74N2O14 
Mol. masa 843,053
SMILES eMolekuli & PubHem
Sinonimi 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6[(2S,3R,4R,5S,6R)-5[(2S,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy10[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Fizički podaci
Rastvorljivost u voda Insoluble in water; Very soluble in acetonitrile and methanol; Almost completely(>99.5) in ethanol. mg/mL (20 °C)
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Spiramicin je organsko jedinjenje, koje sadrži 43 atoma ugljenika i ima molekulsku masu od 843,053 Da.

Osobine[uredi - уреди | uredi izvor]

Osobina Vrednost
Broj akceptora vodonika 16
Broj donora vodonika 4
Broj rotacionih veza 11
Particioni koeficijent[6] (ALogP) 2,0
Rastvorljivost[7] (logS, log(mol/L)) -5,8
Polarna površina[8] (PSA, Å2) 195,4

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. 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. 
  7. 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. 
  8. 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[uredi - уреди | uredi izvor]

Spoljašnje veze[uredi - уреди | uredi izvor]

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