Gevotrolin

Gevotrolin

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	107266-06-8^Y
ATC kod	none
PubChem	CID 60547
ChemSpider	54579^Y
UNII	7SZ6A2091Q^Y
Hemijski podaci
Formula	C19H20FN3
Molarna masa	309,381
SMILES Fc1ccc2[nH]c3CCN(CCCc4cccnc4)Cc3c2c1
InChI InChI=1S/C19H20FN3/c20-15-5-6-18-16(11-15)17-13-23(10-7-19(17)22-18)9-2-4-14-3-1-8-21-12-14/h1,3,5-6,8,11-12,22H,2,4,7,9-10,13H2^Y Key:RZXHTPCHKSYGIB-UHFFFAOYSA-N^Y

Gevotrolin je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 309,381 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	4
Particioni koeficijent[1] (ALogP)	3,7
Rastvorljivost[2] (logS, log(mol/L))	−5,3
Polarna površina[3] (PSA, Å^2)	31,9

Reference

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. 
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. PMID 11749573. doi:10.1021/ci000392t. 
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. PMID 11020286. doi:10.1021/jm000942e. 

Literatura

• 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. 

Spoljašnje veze

• Gevotroline