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URL: https://sh.wikipedia.org/wiki/Kodoksim

⇱ Kodoksim – Wikipedija / Википедија


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Izvor: Wikipedija
Kodoksim
👁 Image
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 7125-76-0
ATC kod nije dodeljen
PubChem[1][2] 9570253
ChemSpider[3] 7844721
UNII JT5I2F57F7 👁 Da
Y
KEGG[4] D03581 👁 Da
Y
Hemijski podaci
Formula C20H24N2O5 
Mol. masa 372,415
SMILES eMolekuli & PubHem
InChI
InChI=1S/C20H24N2O5/c1-22-8-7-20-12-4-5-13(21-26-10-16(23)24)19(20)27-18-15(25-2)6-3-11(17(18)20)9-14(12)22/h3,6,12,14,19H,4-5,7-10H2,1-2H3,(H,23,24)/b21-13+/t12-,14+,19-,20-/m0/s1
Key: WKJYCUVUZIIMJA-OIBQYEROSA-N 👁 Da
Y
Sinonimi Codoxime
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Kodoksim je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 372,415 Da.

Osobine

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Osobina Vrednost
Broj akceptora vodonika 7
Broj donora vodonika 1
Broj rotacionih veza 4
Particioni koeficijent[5] (ALogP) -1,5
Rastvorljivost[6] (logS, log(mol/L)) -3,1
Polarna površina[7] (PSA, Å2) 80,6

Reference

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  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

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Vanjske veze

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Wikimedijina ostava sadrži medije na temu: Kodoksim.