Acetilpropionilmorfin

Acetilpropionilmorfin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	66640-99-1^Y
ATC kod	None
ChemSpider	26286893^Y
Hemijski podaci
Formula	C₂₂H₂₅NO₅
Molarna masa	383,438
SMILES CCC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC(=O)C)c5O[C@@H]1[C@@]2(CCN3C)c45
InChI InChI=1S/C22H25NO5/c1-4-18(25)27-17-8-6-14-15-11-13-5-7-16(26-12(2)24)20-19(13)22(14,21(17)28-20)9-10-23(15)3/h5-8,14-15,17,21H,4,9-11H2,1-3H3/t14-,15+,17-,21-,22+/m0/s1^Y Key:JDTRGWXTYWXUHP-AFOIZWJHSA-N^Y

Acetilpropionilmorfin je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 383,438 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	0
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	2,5
Rastvorljivost^[2] (logS, log(mol/L))	-3,8
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.