Basic Information
| Drug ID | DDPD00618 |
|
| Drug Name | Demeclocycline | |
| Molecular Weight | 464.853 | |
| Molecular Formula | C21H21ClN2O8 | |
| CAS Number | 127-33-3 | |
| SMILES | [H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C([C@H]2O)C(Cl)=CC=C1O | |
| External Links | ||
| DRUGBANK | DB00618 | |
| T3DB | T3D3951 | |
| PubChem Compound | 54680690 | |
| PDR | 2872 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 0.2 | - | 0.2 | - | DRUGBANK |
| Melting Point | 221.5 | ℃ | 220-223 | ℃ | DRUGBANK |
| Water Solubility | 1520.0 | mg/L | 1520 | mg/L | YALKOWSKY,SH & DANNENFELSER,RM 1992) |
| Log S | -2.52 | - | -2.52 | - | ADME Research, USCD |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Clearance | 1.2 | L/h/m2 | 35.0 | ml/min/1.73m2 | Renal clearance; | DRUGBANK |
| Half-life | 13.5 | h | 10-17 | h | DRUGBANK | |
| Toxicity LD50 | 2372.0 | mg/kg | 2372.0 | mg/kg | PO, oral; Rattus, Rat; | DRUGBANK | Toxicity LD50 | 2372.0 | mg/kg | 2372.0 | mg/kg | PO, oral; Rattus, Rat; | T3DB |
| Protein Binding | 45.5 | % | 41-50 | % | DRUGBANK |
Maximum Dosage
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Brand Name | Component | Reference |
|---|---|---|---|---|---|---|---|---|
| Max dose for adults | 1200.0 | mg/day | 1.2 | g/day | PO, oral | Demeclocycline Hydrochloride | demeclocycline hydrochloride | PDR |
| Max dose for elderly | 1200.0 | mg/day | 1.2 | g/day | PO, oral | Demeclocycline Hydrochloride | demeclocycline hydrochloride | PDR |
Drug Property Radar Chart
Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1