| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | L01AD04 |
| UNII: | 5W494URQ81 |
| InChI Key | ZSJLQEPLLKMAKR-YDEIVXIUSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H15N3O7 |
| Molecular Weight | 265.22 |
| AlogP | -2.89 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 151.92 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 18.0 |
| Property Name | Value | Unit | Method |
|---|---|---|---|
| log P (octanol-water) | -1.45E+00 | - | EXP |
| Henry's Law Constant | 7.85E-22 | atm-m3/mole | EST |
| Atmospheric OH Rate Constant | 1.08E-10 | cm3/molecule-sec | EST |
| Melting Point | 115 | deg C | EXP |
| Water Solubility | 5070 | mg/L | EST |
| Vapor Pressure | 1.74E-12 | mm Hg | EST |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neuroendocrine Tumors | 3 | D018358 | ClinicalTrials |
| Carcinoma | 3 | D002277 | ClinicalTrials |
| Oligodendroglioma | 2 | D009837 | ClinicalTrials |
| Pancreatic Neoplasms | 2 | D010190 | ClinicalTrials |
| Glioma | 2 | D005910 | ClinicalTrials |
| Brain Neoplasms | 2 | D001932 | ClinicalTrials |
| Glioblastoma | 2 | D005909 | ClinicalTrials |
| Astrocytoma | 2 | D001254 | ClinicalTrials |
| Colorectal Neoplasms | 1 | D015179 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 18883-66-4 |
| ChEMBL | CHEMBL1651906 |
| DrugCentral | 2483 |
| EPA CompTox | DTXSID90369855 |
| FDA SRS | 5W494URQ81 |
| PubChem | 23615975 |
| SureChEMBL | SCHEMBL444088 |