Trade Names: | |
Synonyms: | |
Status: | Approved (2017) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | V1N8F1RVVO |
Parent Compound: | NALDEMEDINE |
InChI Key | WCYDLROFMZJJLE-RTMHEQJQSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C39H42N4O9S |
Molecular Weight | 742.85 |
AlogP | 3.48 |
Hydrogen Bond Acceptor | 9.0 |
Hydrogen Bond Donor | 4.0 |
Number of Rotational Bond | 6.0 |
Polar Surface Area | 141.18 |
Molecular species | BASE |
Aromatic Rings | 3.0 |
Heavy Atoms | 42.0 |
Resources | Reference |
---|---|
ChEMBL | CHEMBL3039508 |
EPA CompTox | DTXSID10158809 |
FDA SRS | V1N8F1RVVO |
PubChem | 56837137 |
SureChEMBL | SCHEMBL20720003 |