Nimetazepam

Nimetazepam
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	2011-67-8^Y
ATC kod	N05
PubChem	CID 4496
DrugBank	?^Y
ChemSpider	4340^Y
UNII	4532264KW6^Y
KEGG	D01593^Y
ChEMBL	CHEMBL13341^Y
Hemijski podaci
Formula	C₁₆H₁₃N₃O₃
Molarna masa	295,293
SMILES CN1C(=O)CN=C(c2ccccc2)c3cc(ccc13)[N+](=O)[O-]
InChI InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3^Y Key:GWUSZQUVEVMBPI-UHFFFAOYSA-N^Y

Nimetazepam je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 295,293 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	0
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	2,4
Rastvorljivost^[2] (logS, log(mol/L))	-4,3
Polarna površina^[3] (PSA, Å²)	78,5

^ 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.