Klevudin

Klevudin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	69256-17-3^Y
ATC kod	J05AF12 (WHO)
PubChem	CID 73115
ChemSpider	65894^Y
UNII	IN51MVP5F1^Y
KEGG	D03537^Y
ChEMBL	CHEMBL458875^Y
Hemijski podaci
Formula	C₁₀H₁₃FN₂O₅
Molarna masa	260,219
SMILES CC1=CN([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)C(=O)N=C1O
InChI InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1^Y Key:GBBJCSTXCAQSSJ-XQXXSGGOSA-N^Y

Klevudin je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 260,219 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	3
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	-0,4
Rastvorljivost^[2] (logS, log(mol/L))	-1,5
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.