Pinazepam

Pinazepam

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	52463-83-9^Y
ATC kod	N05BA14 (WHO)
PubChem	CID 40391
DrugBank	?^Y
ChemSpider	36899^Y
UNII	5286RBZ882^Y
KEGG	D07314^Y
ChEMBL	CHEMBL1213352^Y
Sinonimi	9-chloro-6-phenyl-2-prop-2-ynyl-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one
Hemijski podaci
Formula	C18H13ClN2O
Molarna masa	308,762
SMILES Clc1ccc2N(CC#C)C(=O)CN=C(c3ccccc3)c2c1
InChI InChI=1S/C18H13ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2^Y Key:MFZOSKPPVCIFMT-UHFFFAOYSA-N^Y

Pinazepam je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 308,762 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	2
Particioni koeficijent[1] (ALogP)	4,4
Rastvorljivost[2] (logS, log(mol/L))	-4,5
Polarna površina[3] (PSA, Å^2)	32,7

Reference

1. 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. 
2. 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. 
3. 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. 

Literatura

• 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. 

Spoljašnje veze

• Pinazepam

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