Edoksudin

Edoksudin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	15176-29-1^Y
ATC kod	D06BB09 (WHO)
PubChem	CID 66377
ChemSpider	59752^Y
UNII	15ZQM81Y3R^Y
Hemijski podaci
Formula	C₁₁H₁₆N₂O₅
Molarna masa	256,255
SMILES CCC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1O
InChI InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1^Y Key:XACKNLSZYYIACO-DJLDLDEBSA-N^Y

Edoksudin je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 256,255 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	3
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	-0,1
Rastvorljivost^[2] (logS, log(mol/L))	-0,6
Polarna površina^[3] (PSA, Å²)	102,6

^ 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.