XLR-11 (lek)

XLR-11 (lek)

Klinički podaci
AHFS/Drugs.com	(drug).html Monografija
Identifikatori
CAS broj	1364933-54-9
ATC kod	nije dodeljen
Hemijski podaci
Formula	C21H28FNO
Mol. masa	329,452
SMILES	eMolekuli & PubHem
InChI InChI=1S/C21H28FNO/c1-20(2)19(21(20,3)4)18(24)16-14-23(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,19H,5,8-9,12-13H2,1-4H3 Key: PXLDPUUMIHVLEC-UHFFFAOYSA-N^Y
Farmakoinformacioni podaci
Trudnoća	?
Pravni status

XLR-11 (lek) je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 329,452 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	0
Broj rotacionih veza	7
Particioni koeficijent[1] (ALogP)	5,2
Rastvorljivost[2] (logS, log(mol/L))	-6,9
Polarna površina[3] (PSA, Å^2)	22,0

Reference

1. Ghose, A.K., Viswanadhan V.N., and 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. 
2. 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. DOI:10.1021/ci000392t. PMID 11749573. 
3. 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. DOI:10.1021/jm000942e. PMID 11020286. 

Literatura

• Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7. 
• Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9. 

Vanjske veze

XLR-11 (lek) na Wikimedijinoj ostavi

• XLR-11 (drug)