Lorpiprazol : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Lorpiprazol

Lorpiprazol
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	108785-69-9^Y
ATC kod	none
PubChem	CID 3045380
ChemSpider	16736802^Y
UNII	0M14O7T47Q^Y
Hemijski podaci
Formula	C₂₁H₂₆F₃N₅
Molarna masa	405,460
SMILES FC(F)(F)c1cccc(c1)N2CCN(CCc3nnc4[C@H]5CCC[C@H]5Cn34)CC2
InChI InChI=1S/C21H26F3N5/c22-21(23,24)16-4-2-5-17(13-16)28-11-9-27(10-12-28)8-7-19-25-26-20-18-6-1-3-15(18)14-29(19)20/h2,4-5,13,15,18H,1,3,6-12,14H2/t15-,18-/m0/s1^Y Key:BNRMWKUVWLKDQJ-YJBOKZPZSA-N^Y

Lorpiprazol je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 405,460 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	0
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	3,9
Rastvorljivost^[2] (logS, log(mol/L))	-5,0
Polarna površina^[3] (PSA, Å²)	37,2

^ 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.