5-MeO-aMT : Osobine, Reference, Literatura, Spoljašnje veze Википедија

5-MeO-aMT

5-MeO-aMT
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	1137-04-8^Y
ATC kod	None
PubChem	CID 36906
ChemSpider	33864^Y
ChEMBL	CHEMBL31115^Y
Hemijski podaci
Formula	C₁₂H₁₆N₂O
Molarna masa	204,268
SMILES COc1ccc2[nH]cc(CC(C)N)c2c1
InChI InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3^Y Key:OGNJZVNNKBZFRM-UHFFFAOYSA-N^Y

Fizički podaci
Tačka topljenja	216 °C (421 °F)

5-MeO-aMT je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 204,268 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	2
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	1,9
Rastvorljivost^[2] (logS, log(mol/L))	-3,1
Polarna površina^[3] (PSA, Å²)	51,0

^ 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.