Lidoflazin

Lidoflazin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	3416-26-0^Y
ATC kod	C08EX01 (WHO)
PubChem	CID 3926
UNII	J4ZHN3HBTE^Y
KEGG	D04733^Y
Hemijski podaci
Formula	C₃₀H₃₅F₂N₃O
Molarna masa	491,615
SMILES Cc1cccc(C)c1NC(=O)CN2CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC2
InChI InChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36)^Y Key:ZBIAKUMOEKILTF-UHFFFAOYSA-N^Y

Fizički podaci
Tačka topljenja	159 °C (318 °F)
Rastvorljivost u vodi	Almost insoluble in water(<0.01%); Very soluble in chloroform(>50%); mg/mL (20 °C)

Lidoflazin je organsko jedinjenje, koje sadrži 30 atoma ugljenika i ima molekulsku masu od 491,615 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	9
Particioni koeficijent^[1] (ALogP)	6,4
Rastvorljivost^[2] (logS, log(mol/L))	-8,1
Polarna površina^[3] (PSA, Å²)	35,6

^ 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.