(-)-2β べーた -(3-(4-Metilfenil)izoksazol-5-il)-3β べーた -(4-hlorofenil)tropan
Klinički podaci
AHFS/Drugs.com
Monografija
Identifikatori
ATC kod
nije dodeljen
PubChem [1] [2]
9800708
Hemijski podaci
Formula
C 24 H 25 Cl N 2 O
Mol. masa
392,921
SMILES
eMolekuli & PubHem
InChI
InChI=1S/C24H25ClN2O/c1-15-3-5-17(6-4-15)21-14-23(28-26-21)24-20(16-7-9-18(25)10-8-16)13-19-11-12-22(24)27(19)2/h3-10,14,19-20,22,24H,11-13H2,1-2H3/t19-,20+,22+,24-/m0/s1 Key: AUXUFNHAVGIVDC-IKJKNFHUSA-N Y
Farmakoinformacioni podaci
Trudnoća
?
Pravni status
(-)-2β べーた -(3-(4-Metilfenil)izoksazol-5-il)-3β べーた -(4-hlorofenil)tropan je organsko jedinjenje , koje sadrži 24 atoma ugljenika i ima molekulsku masu od 392,921 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 .
↑ 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 .