Remogliflozin etabonat : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Remogliflozin etabonat

Remogliflozin etabonat
Klinički podaci

Drugs.com	etabonate.html Monografija
Identifikatori
CAS broj	442201-24-3^Y
ATC kod	none
UNII	TR0QT6QSUL^Y
KEGG	D10055^Y
ChEMBL	CHEMBL494323^Y
Hemijski podaci
Formula	C₂₆H₃₈N₂O₉
Molarna masa	522,588
SMILES CCOC(=O)OCC1OC(Oc2nn(C(C)C)c(C)c2Cc3ccc(OC(C)C)cc3)C(O)C(O)C1O
InChI InChI=1S/C26H38N2O9/c1-7-33-26(32)34-13-20-21(29)22(30)23(31)25(36-20)37-24-19(16(6)28(27-24)14(2)3)12-17-8-10-18(11-9-17)35-15(4)5/h8-11,14-15,20-23,25,29-31H,7,12-13H2,1-6H3^Y Key:UAOCLDQAQNNEAX-UHFFFAOYSA-N^Y

Remogliflozin etabonat je organsko jedinjenje, koje sadrži 26 atoma ugljenika i ima molekulsku masu od 522,588 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	10
Broj donora vodonika	3
Broj rotacionih veza	12
Particioni koeficijent^[1] (ALogP)	3,8
Rastvorljivost^[2] (logS, log(mol/L))	-5,4
Polarna površina^[3] (PSA, Å²)	141,7

^ Ghose, A.K.; Viswanadhan V.N. & 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. PMID 11749573. doi:10.1021/ci000392t.
^ 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.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.