Diklazepam : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Diklazepam

Diklazepam
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	2894-68-0^Y
ATC kod	None
PubChem	CID 76168
Hemijski podaci
Formula	C₁₆H₁₂Cl₂N₂O
Molarna masa	319,185
SMILES CN1C(=O)CN=C(c2ccccc2Cl)c3cc(Cl)ccc13
InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3^Y Key:VPAYQWRBBOGGPY-UHFFFAOYSA-N^Y

Diklazepam je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 319,185 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	3,8
Rastvorljivost^[2] (logS, log(mol/L))	-5,5
Polarna površina^[3] (PSA, Å²)	32,7

^ 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.