Kodidramol : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Kodidramol

Kodidramol
Klinički podaci
Drugs.com	Monografija
Identifikatori
ATC kod	None
ChemSpider	21106280^Y
Hemijski podaci
Formula	C₃₀H₃₆N₂O₁₁
Molarna masa	600,614
SMILES COc1ccc2C[C@@H]3[C@@H]4CC[C@H](O)[C@@H]5Oc1c2[C@@]45CCN3C.C\C(=N/c6ccc([O-])cc6)\[O-].OC(C(O)C(=O)O)C(=O)O
InChI InChI=1S/C18H23NO3.C8H9NO2.C4H6O6/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-6(10)9-7-2-4-8(11)5-3-7;5-1(3(7)8)2(6)4(9)10/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3;2-5,11H,1H3,(H,9,10);1-2,5-6H,(H,7,8)(H,9,10)/p-2/t11-,12+,13-,17-,18+;;/m0../s1^Y Key:CDVVJDIDHYZRHL-OIHICROWSA-L^Y

Kodidramol je organsko jedinjenje, koje sadrži 30 atoma ugljenika i ima molekulsku masu od 600,614 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	13
Broj donora vodonika	5
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	-2,8
Rastvorljivost^[2] (logS, log(mol/L))	-7,6
Polarna površina^[3] (PSA, Å²)	215,5

^ 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.