Pridefin

Pridefin

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	5370-41-2^Y
ATC kod	none
PubChem	CID 31740
ChemSpider	29434^Y
UNII	W0394470AX^Y
Hemijski podaci
Formula	C19H21N
Molarna masa	263,377
SMILES CCN1CCC(=C(c2ccccc2)c3ccccc3)C1
InChI InChI=1S/C19H21N/c1-2-20-14-13-18(15-20)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3^Y Key:BJUHVJHOJBHLJS-UHFFFAOYSA-N^Y

Pridefin je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 263,377 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	0
Broj rotacionih veza	3
Particioni koeficijent[1] (ALogP)	4,2
Rastvorljivost[2] (logS, log(mol/L))	-4,7
Polarna površina[3] (PSA, Å^2)	3,2

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

• Pridefine