Desmetilprodin

Desmetilprodin
Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	13147-09-6
ATC kod	None
PubChem	CID61583
DrugBank	DB01478
ChemSpider	55493
ChEMBL	CHEMBL279865
Hemijski podaci
Formula	C15H21NO2
Molarna masa	247,333
	SMILES CCC(=O)OC1(CCN(C)CC1)C1=CC=CC=C1; ;
	InChI InChI=1S/C15H21NO2/c1-3-14(17)18-15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3; Key:BCQMRZRAWHNSBF-UHFFFAOYSA-N;

Desmetilprodinjeorgansko jedinjenje,koje sadrži 15atoma ugljenikai imamolekulsku masuod 247,333Da.^[1]^[2]^[3]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	0
Broj rotacionih veza	4
Particioni koeficijent^[4](ALogP)	2,2
Rastvorljivost^[5](logS,log(mol/L))	-3,0
Polarna površina^[6](PSA,Å²)	29,5

Reference

^Schmidt, N., and B. Ferger. Neurochemical findings in the MPTP model of Parkinson's disease. Journal of neural transmission 108.11 (2001): 1263-1282.
^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.PMC3013709 .PMID 21059682.doi:10.1093/nar/gkq1126.уреди
^David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; Murtaza Hassanali (2008).„DrugBank: a knowledgebase for drugs, drug actions and drug targets”.Nucleic acids research.36(Database issue): D901—6.PMC2238889 .PMID 18048412.doi:10.1093/nar/gkm958.уреди
^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.уреди
^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.уреди

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.

Spoljašnje veze

Desmethylprodine

[1] Schmidt, N., and B. Ferger. Neurochemical findings in the MPTP model of Parkinson's disease. Journal of neural transmission 108.11 (2001): 1263-1282.

[2] 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.PMC3013709 .PMID 21059682.doi:10.1093/nar/gkq1126.уреди

[3] David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; Murtaza Hassanali (2008).„DrugBank: a knowledgebase for drugs, drug actions and drug targets”.Nucleic acids research.36(Database issue): D901—6.PMC2238889 .PMID 18048412.doi:10.1093/nar/gkm958.уреди

[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.

[5] 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.уреди

[6] 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.уреди

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