Folkodin

Folkodin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	509-67-1^Y
ATC kod	R05DA08 (WHO)
PubChem	CID 5311356
DrugBank	?^Y
ChemSpider	4470854^Y
UNII	LPP64AWZ7L^Y
KEGG	D07385^Y
ChEBI	CHEBI:53579^Y
Hemijski podaci
Formula	C₂₃H₃₀N₂O₄
Molarna masa	398,495
SMILES CN1CC[C@@]23[C@H]4Oc5c(OCCN6CCOCC6)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35
InChI InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23+/m0/s1^Y Key:GPFAJKDEDBRFOS-REDMDHKUSA-N^Y

Folkodin je organsko jedinjenje, koje sadrži 23 atoma ugljenika i ima molekulsku masu od 398,495 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	1
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	1,5
Rastvorljivost^[2] (logS, log(mol/L))	-2,7
Polarna površina^[3] (PSA, Å²)	54,4

^ 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.