Lodenafil

Lodenafil
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	398507-55-6^Y
ATC kod	None
Hemijski podaci
Formula	C₄₃H₅₄N₁₂O₉S₂
Molarna masa	947,094
SMILES CCCc1nn(C)c2C(=O)N=C(Nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C(=O)N5CCN(CC5)S(=O)(=O)c6ccc(OCC)c(c6)C7=NC(=O)c8c(N7)c(CCC)nn8C
InChI InChI=1S/C43H54N12O9S2/c1-7-11-31-35-37(50(5)48-31)41(56)46-39(44-35)29-25-27(13-15-33(29)63-9-3)65(59,60)54-21-17-52(18-22-54)43(58)53-19-23-55(24-20-53)66(61,62)28-14-16-34(64-10-4)30(26-28)40-45-36-32(12-8-2)49-51(6)38(36)42(57)47-40/h13-16,25-26H,7-12,17-24H2,1-6H3,(H,44,46,56)(H,45,47,57)^Y Key:HJOMYDLPAYYXFR-UHFFFAOYSA-N^Y

Lodenafil je organsko jedinjenje, koje sadrži 43 atoma ugljenika i ima molekulsku masu od 947,094 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	15
Broj donora vodonika	2
Broj rotacionih veza	14
Particioni koeficijent^[1] (ALogP)	3,6
Rastvorljivost^[2] (logS, log(mol/L))	-7,4
Polarna površina^[3] (PSA, Å²)	252,1

^ 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.
^ 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.