4-Metilaminoreks

4-Metilaminoreks
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	3568-94-3^Y
ATC kod	None
PubChem	CID 92196
DrugBank	DB01447^Y
ChemSpider	83237^Y
Hemijski podaci
Formula	C₁₀H₁₂N₂O
Molarna masa	176,215
SMILES CC1N=C(N)OC1C1=CC=CC=C1
InChI InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)^Y Key:LJQBMYDFWFGESC-UHFFFAOYSA-N^Y

4-Metilaminoreks je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 176,215 Da.^[1]^[2]^[3]^[4]^[5]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	1
Particioni koeficijent^[6] (ALogP)	1,9
Rastvorljivost^[7] (logS, log(mol/L))	-2,2
Polarna površina^[8] (PSA, Å²)	47,6

Reference

^ Bunker CF, Johnson M, Gibb JW, Bush LG, Hanson GR: Neurochemical effects of an acute treatment with 4-methylaminorex: a new stimulant of abuse. Eur J Pharmacol. 1990 May 3;180(1):103-11. PMID 1973111
^ Hanson GR, Bunker CF, Johnson M, Bush L, Gibb JW: Response of monoaminergic and neuropeptide systems to 4-methylaminorex: a new stimulant of abuse. Eur J Pharmacol. 1992 Aug 6;218(2-3):287-93. PMID 1358636
^ Zheng Y, Russell B, Schmierer D, Laverty R: The effects of aminorex and related compounds on brain monoamines and metabolites in CBA mice. J Pharm Pharmacol. 1997 Jan;49(1):89-96. PMID 9120777
^ Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035—41. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126.
^ Nucleic Acids Res (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research. 36 (Database issue): D901—6. PMC 2238889 . PMID 18048412. doi:10.1093/nar/gkm958. |first2= захтева |last2= у Authors list (помоћ); |first3= захтева |last3= у Authors list (помоћ); |first4= захтева |last4= у Authors list (помоћ); |first5= захтева |last5= у Authors list (помоћ); |first6= захтева |last6= у Authors list (помоћ); |first7= захтева |last7= у Authors list (помоћ); |first8= захтева |last8= у Authors list (помоћ)
^ 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. Архивирано из оригинала 22. 07. 2014. г. Приступљено 13. 12. 2013. CS1 одржавање: Вишеструка имена: списак аутора (веза)
^ 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.

Literatura

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.