Metarbital : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Metarbital

Metarbital
Klinički podaci


Prodajno ime	Endiemal, Endiemalum, Gemonal, Gemonil
Drugs.com	Monografija
Identifikatori
CAS broj	50-11-3^Y
ATC kod	N03AA30 (WHO)
PubChem	CID 4099
DrugBank	DB00463^Y
ChemSpider	3957^Y
ChEMBL	CHEMBL450^Y
Hemijski podaci
Formula	C₉H₁₄N₂O₃
Molarna masa	198,219
SMILES CCC1(CC)C(=O)NC(=O)N(C)C1=O
InChI InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)^Y Key:FWJKNZONDWOGMI-UHFFFAOYSA-N^Y

Fizički podaci
Tačka topljenja	1.505 °C (2.741 °F)

Metarbital je organsko jedinjenje, koje sadrži 9 atoma ugljenika i ima molekulsku masu od 198,219 Da.^[1]^[2]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	2
Particioni koeficijent^[3] (ALogP)	0,9
Rastvorljivost^[4] (logS, log(mol/L))	-1,4
Polarna površina^[5] (PSA, Å²)	66,5

^ 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. 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. PMC 2238889 . 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

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.