Cinepazet : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Cinepazet

Cinepazet
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	23887-41-4^Y
ATC kod	C01DX14 (WHO)
PubChem	CID 6436156
ChemSpider	4940822^Y
UNII	0LC95WWE9Q^Y
Hemijski podaci
Formula	C₂₀H₂₈N₂O₆
Molarna masa	392,446
SMILES CCOC(=O)CN1CCN(CC1)C(=O)\C=C/c2cc(OC)c(OC)c(OC)c2
InChI InChI=1S/C20H28N2O6/c1-5-28-19(24)14-21-8-10-22(11-9-21)18(23)7-6-15-12-16(25-2)20(27-4)17(13-15)26-3/h6-7,12-13H,5,8-11,14H2,1-4H3/b7-6-^Y Key:XDUOTWNXVDBCDY-SREVYHEPSA-N^Y

Fizički podaci
Gustina	1.172 g/cm³

Cinepazet je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 392,446 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	0
Broj rotacionih veza	9
Particioni koeficijent^[1] (ALogP)	1,7
Rastvorljivost^[2] (logS, log(mol/L))	-2,9
Polarna površina^[3] (PSA, Å²)	77,5

^ 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.