2-Metoksietil-18-metoksikoronaridinat

2-Metoksietil-18-metoksikoronaridinat
Klinički podaci

Drugs.com	Monografija
Identifikatori
ATC kod	None
PubChem	CID 10070278
ChemSpider	9212214^Y
Hemijski podaci
Formula	C₂₄H₃₂N₂O₄
Molarna masa	412,522
SMILES COCCOC(=O)[C@]12C[C@H]3C[C@H](CCOC)[C@@H]1N(CCc4c2[nH]c5ccccc45)C3
InChI InChI=1S/C24H32N2O4/c1-28-10-8-17-13-16-14-24(23(27)30-12-11-29-2)21-19(7-9-26(15-16)22(17)24)18-5-3-4-6-20(18)25-21/h3-6,16-17,22,25H,7-15H2,1-2H3/t16-,17+,22+,24+/m1/s1^Y Key:OLFXZBDPKBSIPG-KGSVPTONSA-N^Y

2-Metoksietil-18-metoksikoronaridinat je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 412,522 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	1
Broj rotacionih veza	8
Particioni koeficijent^[1] (ALogP)	3,1
Rastvorljivost^[2] (logS, log(mol/L))	-4,5
Polarna površina^[3] (PSA, Å²)	63,8

^ 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.