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 |