Oksimorfazon

Oksimorfazon
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	73697-35-5^Y
ATC kod	none
PubChem	CID 9577748
Sinonimi	Oxymorphone hydrazone
Hemijski podaci
Formula	C₁₇H₂₁N₃O₃
Molarna masa	315,367
SMILES CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CC/C/4=N\N)c35
InChI InChI=1S/C17H21N3O3/c1-20-7-6-16-13-9-2-3-11(21)14(13)23-15(16)10(19-18)4-5-17(16,22)12(20)8-9/h2-3,12,15,21-22H,4-8,18H2,1H3/b19-10+/t12-,15+,16+,17-/m1/s1^Y Key:VOFTYIFRRWVMOO-FDUMSJNMSA-N^Y

Oksimorfazon je organsko jedinjenje, koje sadrži 17 atoma ugljenika i ima molekulsku masu od 315,367 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	3
Broj rotacionih veza	0
Particioni koeficijent^[1] (ALogP)	0,4
Rastvorljivost^[2] (logS, log(mol/L))	-1,6
Polarna površina^[3] (PSA, Å²)	91,3

^ 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.