Heksapradol : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Heksapradol

Heksapradol
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	15599-37-8^Y
ATC kod	None
PubChem	CID 219120
ChemSpider	189933^Y
Sinonimi	α-butyl-β-hydroxy-β-phenylamphetamine α-pentyl-β-hydroxy-β-phenyl-2-phenethylamine β-phenyl-2-phenylheptanolamine
Hemijski podaci
Formula	C₁₉H₂₅NO
Molarna masa	283,408
SMILES CCCCCC(N)C(O)(c1ccccc1)c2ccccc2
InChI InChI=1S/C19H25NO/c1-2-3-6-15-18(20)19(21,16-11-7-4-8-12-16)17-13-9-5-10-14-17/h4-5,7-14,18,21H,2-3,6,15,20H2,1H3^Y Key:ZVRZJTRBWTVKOJ-UHFFFAOYSA-N^Y

Heksapradol je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 283,408 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	2
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	4,1
Rastvorljivost^[2] (logS, log(mol/L))	-5,6
Polarna površina^[3] (PSA, Å²)	46,3

^ 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.