Basic Information
| Drug ID | DDPD04209 |
|
| Drug Name | Dequalinium | |
| Molecular Weight | 456.6654 | |
| Molecular Formula | C30H40N4 | |
| CAS Number | 6707-58-0 | |
| SMILES | CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2 | |
| External Links | ||
| DRUGBANK | DB04209 | |
| PubChem Compound | 2993 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Melting Point | 326.0 | ℃ | 326 | ℃ | MSDS |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Bioavailability | 0.10 | % | <0.1 | % | PO, oral; | DRUGBANK |
| Toxicity LD50 | 300.0 | mg/kg | 300.0 | mg/kg | PO, oral; mouse; | DRUGBANK | Toxicity LD50 | 18.3 | mg/kg | 18.3 | mg/kg | rodents; | DRUGBANK |
Maximum Dosage
Not Available
Drug Property Radar Chart
Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1