Basic Information
| Drug ID | DDPD14018 |
|
| Drug Name | Bromotheophylline | |
| Molecular Weight | 259.063 | |
| Molecular Formula | C7H7BrN4O2 | |
| CAS Number | 10381-75-6 | |
| SMILES | CN1C2=C(NC(Br)=N2)C(=O)N(C)C1=O | |
| External Links | ||
| DRUGBANK | DB14018 | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Boiling Point | 300.0 | ℃ | 300 | ℃ | 'MSDS' |
| Melting Point | 305.5 | ℃ | 295-316 | ℃ | 'MSDS' |
| pKa | 5.45 | - | 5.45 | - | Brittain H. Profiles of drug substances, excipients and related methodology. (2007) |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| AUC | 27000.0 | ng.h/ml | 27.0 | mg.h/l | Oral single dose; | DRUGBANK |
| C Max | 2500.0 | ng/ml | 2.5 | mg/L | Oral single dose; | DRUGBANK |
| T Max | 0.78 | h | 0.78 | h | Oral single dose; | DRUGBANK |
| Half-life | 21.4 | h | 21.35 | h | elimination half-life; | 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