Dibenzoilmorfin

Dibenzoilmorfin
Klinički podaci

Drugs.com	Monografija
Identifikatori
ATC kod	None
Hemijski podaci
Formula	C₃₁H₂₇NO₅
Molarna masa	493,550
SMILES CN1CCC23C4Oc5c(OC(=O)c6ccccc6)ccc(CC1C2C=CC4OC(=O)c7ccccc7)c35
InChI InChI=1S/C31H27NO5/c1-32-17-16-31-22-13-15-25(36-30(34)20-10-6-3-7-11-20)28(31)37-27-24(14-12-21(26(27)31)18-23(22)32)35-29(33)19-8-4-2-5-9-19/h2-15,22-23,25,28H,16-18H2,1H3^Y Key:TYRXZVFTBRIZFW-UHFFFAOYSA-N^Y

Dibenzoilmorfin je organsko jedinjenje, koje sadrži 31 atom ugljenika i ima molekulsku masu od 493,550 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	0
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	5,1
Rastvorljivost^[2] (logS, log(mol/L))	-6,7
Polarna površina^[3] (PSA, Å²)	65,1

^ 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.
^ 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.