| Pubchem ID | 60196302 |
|---|---|
| CAS | 9013-34-7 |
| IUPAC name | (2R,3R,4S,5S,6R)-3-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethoxymethyl]oxane-2,4,5-triol |
| Synonyms | - |
| Categories | Not Categorized |
| SMILES | CCN(CC)CCOCC1C(C(C(C(O1)O)OCCN(CC)CC)O)O |
| InCheykey | InChI=1S/C18H38N2O6/c1-5-19(6-2)9-11-24-13-14-15(21)16(22)17(18(23)26-14)25-12-10-20(7-3)8-4/h14-18,21-23H,5-13H2,1-4H3/t14-,15-,16+,17-,18-/m1/s1 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 378.51 | 3 | 8 | 13 | 94.9 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Too Soluble | Weaker / Non binder | Low | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |