Tarenflurbil

Tarenflurbil
Klinički podaci

Drugs.com	Monografija
Identifikatori
ATC kod	none
PubChem	CID 92337
ChemSpider	83361^Y
UNII	501W00OOWA^Y
Hemijski podaci
Formula	C₁₅H₁₃FO₂
Molarna masa	244,261
SMILES C[C@@H](C(=O)O)c1ccc(c(F)c1)c2ccccc2
InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1^Y Key:SYTBZMRGLBWNTM-SNVBAGLBSA-N^Y

Tarenflurbil je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 244,261 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	3,7
Rastvorljivost^[2] (logS, log(mol/L))	-4,6
Polarna površina^[3] (PSA, Å²)	37,3

^ 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.