Fijaluridin

Fijaluridin
Klinički podaci


Drugs.com	Monografija
Identifikatori
ATC kod	none
PubChem	CID 50313
UNII	53T7IN77LC^Y
KEGG	D04181^Y
ChEMBL	CHEMBL271475^Y
Sinonimi	2′-Fluoro-5-iodouracil
Hemijski podaci
Formula	C₉H₁₀FIN₂O₅
Molarna masa	372,089
SMILES OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)N2C=C(I)C(=O)NC2=O
InChI InChI=1S/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1^Y Key:IPVFGAYTKQKGBM-BYPJNBLXSA-N^Y

Fijaluridin je organsko jedinjenje, koje sadrži 9 atoma ugljenika i ima molekulsku masu od 372,089 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	3
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	-1,2
Rastvorljivost^[2] (logS, log(mol/L))	-1,9
Polarna površina^[3] (PSA, Å²)	99,1

^ 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.