Pentabamat

Pentabamat
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	5667-70-9^Y
ATC kod	None
PubChem	CID 3047822
ChemSpider	2310134^Y
UNII	8871ZB4UGC^Y
Hemijski podaci
Formula	C₈H₁₆N₂O₄
Molarna masa	204,224
SMILES CC(OC(=N)O)C(C)C(C)OC(=N)O
InChI InChI=1S/C8H16N2O4/c1-4(5(2)13-7(9)11)6(3)14-8(10)12/h4-6H,1-3H3,(H2,9,11)(H2,10,12)^Y Key:XAIVVICFVUFHEP-UHFFFAOYSA-N^Y

Pentabamat je organsko jedinjenje, koje sadrži 8 atoma ugljenika i ima molekulsku masu od 204,224 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	4
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	2,1
Rastvorljivost^[2] (logS, log(mol/L))	-0,2
Polarna površina^[3] (PSA, Å²)	106,6

^ 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.