| Pubchem ID | 135309552 |
|---|---|
| CAS | 8016-94-2 |
| IUPAC name | 3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid |
| Synonyms | - |
| Categories | Not Categorized |
| SMILES | CN1C=NC2=C1N=CN=C2OC3CCN(C3)C(=O)O |
| InCheykey | InChI=1S/C11H13N5O3/c1-15-6-14-8-9(15)12-5-13-10(8)19-7-2-3-16(4-7)11(17)18/h5-7H,2-4H2,1H3,(H,17,18) |
| 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 |
|---|---|---|---|---|
| 263.257 | 1 | 6 | 2 | 93.4 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Optimal Solubility | Weaker / Non binder | Low | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Mutagen | Irritant | Non-Irritant | Irritant | Non-Degradable |