Laninamivir

Laninamivir
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	203120-17-6^Y
ATC kod	none
PubChem	CID 502272
ChemSpider	439182^Y
UNII	B408IW3GL5^Y
ChEMBL	CHEMBL466246^Y
Hemijski podaci
Formula	C₁₃H₂₂N₄O₇
Molarna masa	346,336
SMILES CO[C@H]([C@H](O)CO)[C@@H]1OC(=C[C@H](NC(=N)N)[C@H]1\N=C(/C)\O)C(=O)O
InChI InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1^Y Key:QNRRHYPPQFELSF-CNYIRLTGSA-N^Y

Laninamivir je organsko jedinjenje, koje sadrži 13 atoma ugljenika i ima molekulsku masu od 346,336 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	9
Broj donora vodonika	7
Broj rotacionih veza	8
Particioni koeficijent^[1] (ALogP)	-2,3
Rastvorljivost^[2] (logS, log(mol/L))	-1,0
Polarna površina^[3] (PSA, Å²)	190,7

^ 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.