Taribavirin

Taribavirin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	119567-79-2^Y
ATC kod	J05AB04 (WHO)
PubChem	CID 451448
DrugBank	none^Y
ChemSpider	397669^Y
UNII	R3B1994K2E^Y
Sinonimi	1-(β-D-Ribofuranosyl)- 1,2,4-triazole-3-carboximide
Hemijski podaci
Formula	C₈H₁₃N₅O₄
Molarna masa	243,220
SMILES NC(=N)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
InChI InChI=1S/C8H13N5O4/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8/h2-5,8,14-16H,1H2,(H3,9,10)/t3-,4-,5-,8-/m1/s1^Y Key:NHKZSTHOYNWEEZ-AFCXAGJDSA-N^Y

Taribavirin je organsko jedinjenje, koje sadrži 8 atoma ugljenika i ima molekulsku masu od 243,220 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	5
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	-2,7
Rastvorljivost^[2] (logS, log(mol/L))	0,5
Polarna površina^[3] (PSA, Å²)	150,5

^ 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.