Etazocin

Etazocin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	34254-87-0^Y
ATC kod	None
PubChem	CID 187767
ChemSpider	163214^Y
Sinonimi	NIH-7856 ((±)-form); GPA-208 ((-)-form); GPA-2087 ((-)-form); NIH-8178 ((-)-form); FDA-0487 ((-)-form)
Hemijski podaci
Formula	C₁₇H₂₅NO
Molarna masa	259,387
SMILES CC[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2C
InChI InChI=1S/C17H25NO/c1-4-14-16-10-12-6-7-13(19)11-15(12)17(14,5-2)8-9-18(16)3/h6-7,11,14,16,19H,4-5,8-10H2,1-3H3/t14-,16-,17+/m0/s1^Y Key:JYRBQCWXZNDERM-BHYGNILZSA-N^Y

Etazocin je organsko jedinjenje, koje sadrži 17 atoma ugljenika i ima molekulsku masu od 259,387 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	3,8
Rastvorljivost^[2] (logS, log(mol/L))	-3,9
Polarna površina^[3] (PSA, Å²)	23,5

^ 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.