Beklamid

Beklamid
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	501-68-8^Y
ATC kod	N03AX30 (WHO)
PubChem	CID 10391
ChemSpider	9962^Y
UNII	F5N0ALI65V^Y
KEGG	D07300^Y
ChEMBL	CHEMBL64195^Y
Hemijski podaci
Formula	C₁₀H₁₂ClNO
Molarna masa	197,661
SMILES O\C(=N/Cc1ccccc1)\CCCl
InChI InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)^Y Key:JPYQFYIEOUVJDU-UHFFFAOYSA-N^Y

Beklamid je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 197,661 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	2,4
Rastvorljivost^[2] (logS, log(mol/L))	-3,3
Polarna površina^[3] (PSA, Å²)	32,6

^ 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.