5-Etoksi-DMT

5-Ethoxy-DMT

Klinički podaci
AHFS/Drugs.com	Monografija
Identifikatori
CAS broj	855245-09-9
ATC kod	nije dodeljen
ChemSpider[1]	26286732
Hemijski podaci
Formula	C14H20N2O
Mol. masa	232,321
SMILES	eMolekuli & PubHem
InChI InChI=1S/C14H20N2O/c1-4-17-12-5-6-14-13(9-12)11(10-15-14)7-8-16(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3 Key: OSUDCFCSUHGWJF-UHFFFAOYSA-N^Y
Farmakoinformacioni podaci
Trudnoća	?
Pravni status

5-Ethoxy-DMT je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 232,321 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	5
Particioni koeficijent[2] (ALogP)	2,9
Rastvorljivost[3] (logS, log(mol/L))	-3,3
Polarna površina[4] (PSA, Å^2)	28,3

Reference

1. Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846.  edit
2. Ghose, A.K., Viswanadhan V.N., and 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. 
3. 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. DOI:10.1021/ci000392t. PMID 11749573. 
4. 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. DOI:10.1021/jm000942e. PMID 11020286. 

Literatura

• Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7. 
• Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9. 

Spoljašnje veze

	Portal Medicina
	Portal Hemija

• 5-Ethoxy-DMT