6-Monoacetilmorfin

6-Monoacetilmorfin

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	2784-73-8^Y
ATC kod	none
PubChem	CID 5462507
ChemSpider	4575434^Y
ChEMBL	CHEMBL592009^Y
Sinonimi	6-acetylmorphine
Hemijski podaci
Formula	C19H21NO4
Molarna masa	327,374
SMILES CN1CC[C@@]23[C@H]4Oc5c(O)cc(C(=O)C)c(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35
InChI InChI=1S/C19H21NO4/c1-9(21)10-8-15(23)17-16-11(10)7-13-12-3-4-14(22)18(24-17)19(12,16)5-6-20(13)2/h3-4,8,12-14,18,22-23H,5-7H2,1-2H3/t12-,13+,14-,18-,19+/m0/s1^Y Key:DUAISAINBBQDAF-MHPFDCNVSA-N^Y

6-Monoacetilmorfin 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	2
Broj rotacionih veza	1
Particioni koeficijent[1] (ALogP)	1,2
Rastvorljivost[2] (logS, log(mol/L))	-2,4
Polarna površina[3] (PSA, Å^2)	70,0

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

• 6-Monoacetylmorphine