Movatterモバイル変換

Cinolazepam

С Википедије, слободне енциклопедије

Cinolazepam
Klinički podaci


Drugs.com	Monografija
Farmakokinetički podaci
Poluvreme eliminacije	9 h

Identifikatori
CAS broj	75696-02-5^Y
ATC kod	N05CD13 (WHO)
PubChem	CID3033621
DrugBank	DB01594^Y
ChemSpider	2298251^Y
ChEBI	CHEBI:59514^Y
Hemijski podaci
Formula	C₁₈H₁₃ClFN₃O₂
Molarna masa	357,766
SMILES OC1N=C(C2=CC=CC=C2F)C2=C(C=CC(Cl)=C2)N(CCC#N)C1=O
InChI InChI=1S/C18H13ClFN3O2/c19-11-6-7-15-13(10-11)16(12-4-1-2-5-14(12)20)22-17(24)18(25)23(15)9-3-8-21/h1-2,4-7,10,17,24H,3,9H2^Y Key:XAXMYHMKTCNRRZ-UHFFFAOYSA-N^Y

Cinolazepam jeorgansko jedinjenje, koje sadrži 18atoma ugljenika i imamolekulsku masu od 357,766Da.^[1]^[2]

Osobine

[уреди |уреди извор]

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	3
Particioni koeficijent^[3] (ALogP)	3,2
Rastvorljivost^[4] (logS, log(mol/L))	-5,4
Polarna površina^[5] (PSA,Å²)	76,7

Reference

[уреди |уреди извор]

^Knox, C.; Law, V.; Jewison, T.; Liu, P.; Ly, S.; Frolkis, A.; Pon, A.; Banco, K.; Mak, C.; Neveu, V.; Djoumbou, Y.; Eisner, R.; Guo, A. C.; Wishart, D. S. (2011).„DrugBank 3.0: A comprehensive resource for 'Omics' research on drugs”.Nucleic Acids Research.39 (Database issue): D1035—D1041.PMC 3013709 .PMID 21059682.doi:10.1093/nar/gkq1126.
^Wishart, David S.; Knox, Craig; Guo, An Chi; Cheng, Dean; Shrivastava, Savita; Tzur, Dan; Gautam, Bijaya; Hassanali, Murtaza (2008).„DrugBank: A knowledgebase for drugs, drug actions and drug targets”.Nucleic Acids Research.36 (Database issue): D901—D906.PMC 2238889 .PMID 18048412.doi:10.1093/nar/gkm958.
^Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods”.The Journal of Physical Chemistry A.102 (21): 3762—3772.Bibcode:1998JPCA..102.3762G.doi:10.1021/jp980230o.
^Tetko, Igor V.; Tanchuk, Vsevolod Yu.; Kasheva, Tamara N.; Villa, Alessandro E. P. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”.Journal of Chemical Information and Computer Sciences.41 (6): 1488—1493.PMID 11749573.doi:10.1021/ci000392t.
^Ertl, Peter; Rohde, Bernhard; Selzer, Paul (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”.Journal of Medicinal Chemistry.43 (20): 3714—3717.PMID 11020286.doi:10.1021/jm000942e.