Eptazocin

Eptazocin

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	72522-13-5^Y
ATC kod	None
PubChem	CID 3042090
ChemSpider	2305268^Y
UNII	2208ZLI77S^Y
Hemijski podaci
Formula	C15H21NO
Molarna masa	231,333
SMILES CN1CC[C@@]2(C)C[C@H](C1)Cc3ccc(O)cc23
InChI InChI=1S/C15H21NO/c1-15-5-6-16(2)10-11(9-15)7-12-3-4-13(17)8-14(12)15/h3-4,8,11,17H,5-7,9-10H2,1-2H3/t11-,15+/m1/s1^Y Key:ZOWQTJXNFTWSCS-ABAIWWIYSA-N^Y

Eptazocin je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 231,333 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	0
Particioni koeficijent[1] (ALogP)	2,9
Rastvorljivost[2] (logS, log(mol/L))	-3,3
Polarna površina[3] (PSA, Å^2)	23,5

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

• Eptazocine