Atovakvon/proguanil
Klinički podaci
AHFS/Drugs.com
Monografija
Identifikatori
ATC kod
P01 BB51
PubChem [1] [2]
11954242
ChemSpider [3]
21230364
KEGG [4]
D02472 Y
Hemijski podaci
Formula
C 33 H 36 Cl 3 N 5 O 3
Mol. masa
657,030
SMILES
eMolekuli & PubHem
InChI
InChI=1S/C22H19ClO3.C11H16ClN5.ClH/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26;1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9;/h1-4,9-13,15,26H,5-8H2;3-7H,1-2H3,(H5,13,14,15,16,17);1H/t13-,15-;; Key: VLGMAGFZQDMEGN-BKRMEZGBSA-N Y
Farmakoinformacioni podaci
Trudnoća
?
Pravni status
Atovakvon/proguanil je organsko jedinjenje , koje sadrži 33 atoma ugljenika i ima molekulsku masu od 657,030 Da .
↑ 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
↑ 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 .
↑ 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
↑ 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 .
↑ 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 .
↑ 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 .
↑ 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 .