Metofolin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Metofolin

Metofolin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	2154-02-1^Y
ATC kod	none
PubChem	CID 16538
ChemSpider	15678^Y
UNII	72L4ZT2W1P^Y
KEGG	D04986^Y
Hemijski podaci
Formula	C₂₀H₂₄ClNO₂
Molarna masa	345,863
SMILES COc1cc2CCN(C)C(CCc3ccc(Cl)cc3)c2cc1OC
InChI InChI=1S/C20H24ClNO2/c1-22-11-10-15-12-19(23-2)20(24-3)13-17(15)18(22)9-6-14-4-7-16(21)8-5-14/h4-5,7-8,12-13,18H,6,9-11H2,1-3H3^Y Key:YBCPYHQFUMNOJG-UHFFFAOYSA-N^Y

Metofolin je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 345,863 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	0
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	5,0
Rastvorljivost^[2] (logS, log(mol/L))	-5,9
Polarna površina^[3] (PSA, Å²)	21,7

^ 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.