Etilketazocin

Etilketazocin

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	36292-66-7^Y
ATC kod	None
PubChem	CID 644273
ChemSpider	559289^Y
Hemijski podaci
Formula	C19H25NO2
Molarna masa	299,407
SMILES CC[C@@]12CCN(CC3CC3)[C@H](C1C)C(=O)c4ccc(O)cc24
InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12?,17-,19-/m1/s1^Y Key:SEJUQQOPVAUETF-RHABNTCASA-N^Y

Etilketazocin je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 299,407 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	3
Particioni koeficijent[1] (ALogP)	3,6
Rastvorljivost[2] (logS, log(mol/L))	-3,7
Polarna površina[3] (PSA, Å^2)	40,5

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

• Ethylketazocine