Dipropanoilmorfin

Dipropanoilmorfin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	10589-79-4^Y
ATC kod	none
PubChem	CID 165894
ChemSpider	20053814^Y
Sinonimi	Dipropanoylmorphine, Dipropionylmorphine
Hemijski podaci
Formula	C₂₃H₂₇NO₅
Molarna masa	397,464
SMILES CCC(=O)c1c(O)c2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5Cc(c1C(=O)CC)c2[C@]34CCN5C
InChI InChI=1S/C23H27NO5/c1-4-14(25)17-11-10-13-12-6-7-16(27)22-23(12,8-9-24(13)3)19(11)21(29-22)20(28)18(17)15(26)5-2/h6-7,12-13,16,22,27-28H,4-5,8-10H2,1-3H3/t12-,13+,16-,22-,23+/m0/s1^Y Key:KDFWILUISXRMIK-WEVOUWNYSA-N^Y

Dipropanoilmorfin je organsko jedinjenje, koje sadrži 23 atoma ugljenika i ima molekulsku masu od 397,464 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	2
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	2,2
Rastvorljivost^[2] (logS, log(mol/L))	-3,1
Polarna površina^[3] (PSA, Å²)	87,1

^ 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.