Vinbarbital : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Vinbarbital

Vinbarbital
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	2430-49-1^Y
ATC kod	N05CA09 (WHO)
PubChem	CID 5284636
ChemSpider	4447681^Y
UNII	7NZH2C1T6O^Y
KEGG	D07321^Y
ChEMBL	CHEMBL503565^Y
Hemijski podaci
Formula	C₁₁H₁₆N₂O₃
Molarna masa	224,256
SMILES CC\C=C(/C)\C1(CC)C(=NC(=O)N=C1O)O
InChI InChI=1S/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16)/b7-6+^Y Key:RAFOHKSPUDGZPR-VOTSOKGWSA-N^Y

Vinbarbital je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 224,256 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	2
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	3,0
Rastvorljivost^[2] (logS, log(mol/L))	-2,9
Polarna površina^[3] (PSA, Å²)	82,3

^ 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.