Acetilmorfon

Acetilmorfon
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	14696-22-1^Y
ATC kod	none
PubChem	CID 625177
ChemSpider	21106250^Y
Sinonimi	Acetylmorphone, Dihydromorphinone acetate, 3-acetyl-7,8-dihydromorphin-6-one
Hemijski podaci
Formula	C₁₉H₂₁NO₄
Molarna masa	327,374
SMILES CN1CC[C@]23[C@H]4CCC(=O)[C@@H]2Oc5c(OC(=O)C)ccc(C[C@@H]14)c35
InChI InChI=1S/C19H21NO4/c1-10(21)23-15-6-3-11-9-13-12-4-5-14(22)18-19(12,7-8-20(13)2)16(11)17(15)24-18/h3,6,12-13,18H,4-5,7-9H2,1-2H3/t12-,13+,18-,19+/m0/s1^Y Key:QVIUKMVKLLVCDU-YRQNITAISA-N^Y

Acetilmorfon je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 327,374 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	0
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	1,7
Rastvorljivost^[2] (logS, log(mol/L))	-2,8
Polarna površina^[3] (PSA, Å²)	55,8

^ 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.