Lopirazepam : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Lopirazepam

Lopirazepam
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	42863-81-0^Y
ATC kod	none
PubChem	CID 68672
ChemSpider	61926^Y
UNII	8PDI6DY6GV^Y
Hemijski podaci
Formula	C₁₄H₉Cl₂N₃O₂
Molarna masa	322,146
SMILES OC1N=C(c2ccccc2Cl)c3nc(Cl)ccc3NC1=O
InChI InChI=1S/C14H9Cl2N3O2/c15-8-4-2-1-3-7(8)11-12-9(5-6-10(16)18-12)17-13(20)14(21)19-11/h1-6,14,21H,(H,17,20)^Y Key:JEJOFYTVMFVKQA-UHFFFAOYSA-N^Y

Lopirazepam je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 322,146 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	2
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	3,0
Rastvorljivost^[2] (logS, log(mol/L))	-5,0
Polarna površina^[3] (PSA, Å²)	74,6

^ 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.