Laudeksijum metilsulfat
Klinički podaci
AHFS/Drugs.com
metilsulfate.html Monografija
Identifikatori
CAS broj
3253-60-9
ATC kod
nije dodeljen
PubChem [ 1] [ 2]
18618
UNII
D067KDG4NU Y
Hemijski podaci
Formula
C 54 H 80 N 2 O 16 S 2
Mol. masa
1077,347
SMILES
eMolekuli & PubHem
InChI
InChI=1S/C52H74N2O8.2CH4O4S/c1-53(27-23-39-33-49(59-7)51(61-9)35-41(39)43(53)29-37-19-21-45(55-3)47(31-37)57-5)25-17-15-13-11-12-14-16-18-26-54(2)28-24-40-34-50(60-8)52(62-10)36-42(40)44(54)30-38-20-22-46(56-4)48(32-38)58-6;2*1-5-6(2,3)4/h19-22,31-36,43-44H,11-18,23-30H2,1-10H3;2*1H3,(H,2,3,4)/q+2;;/p-2 Key: LADQAYSLFLCKOD-UHFFFAOYSA-L Y
Sinonimi
Laudolissin
Farmakoinformacioni podaci
Trudnoća
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Pravni status
Laudeksijum metilsulfat je organsko jedinjenje , koje sadrži 54 atoma ugljenika i ima molekulsku masu od 1077,347 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 .