RS-56812
 | |
| Klinički podaci | |
|---|---|
| Drugs.com | Monografija |
| Identifikatori | |
| CAS broj | 143137-35-3 |
| ATC kod | None |
| PubChem | CID6604789 |
| Hemijski podaci | |
| Formula | C18H21N3O2 |
| Molarna masa | 311,378 |
| |
| |
RS-56812jeorgansko jedinjenje,koje sadrži 18atomaugljenikai imamolekulsku masuod 311,378Da.
Osobine
[уреди|уреди извор]| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 3 |
| Broj donora vodonika | 1 |
| Broj rotacionih veza | 3 |
| Particioni koeficijent[1](ALogP) | 2,0 |
| Rastvorljivost[2](logS,log(mol/L)) | -3,6 |
| Polarna površina[3](PSA,Å2) | 54,3 |
Reference
[уреди|уреди извор]- ^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.PMID11749573.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.PMID11020286.doi:10.1021/jm000942e.
Literatura
[уреди|уреди извор]- Hardman JG, Limbird LE, Gilman AG (2001).Goodman & Gilman's The Pharmacological Basis of Therapeutics(10. изд.). New York: McGraw-Hill.ISBN0071354697.doi:10.1036/0071422803.
- Thomas L. Lemke; David A. Williams, ур. (2007).Foye's Principles of Medicinal Chemistry(6. изд.). Baltimore: Lippincott Willams & Wilkins.ISBN0781768799.
