Narkobarbital : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Narkobarbital

Narkobarbital
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	125-55-3^Y
ATC kod	N01AG01 (WHO)
PubChem	CID 18735
ChemSpider	17691^Y
KEGG	C17722^Y
ChEMBL	CHEMBL92963^Y
Hemijski podaci
Formula	C₁₁H₁₅BrN₂O₃
Molarna masa	303,152
SMILES CC(C)C1(CC(=C)Br)C(=NC(=O)N(C)C1=O)O
InChI InChI=1S/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)^Y Key:WGMASVSHOSNKMF-UHFFFAOYSA-N^Y

Narkobarbital je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 303,152 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	2,3
Rastvorljivost^[2] (logS, log(mol/L))	-3,3
Polarna površina^[3] (PSA, Å²)	70,0

^ 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.