Basic Information
| Drug ID | DDPD00152 |
|
| Drug Name | Thiamine | |
| Molecular Weight | 265.355 | |
| Molecular Formula | C12H17N4OS | |
| CAS Number | 70-16-6 | |
| SMILES | CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N | |
| External Links | ||
| DRUGBANK | DB00152 | |
| T3DB | T3D2696 | |
| PubChem Compound | 1130 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Melting Point | 248.0 | ℃ | 248 | ℃ | PhysProp |
| Water Solubility | 500000.0 | mg/L | 500000 | mg/L | MERCK INDEX 1996); approx. |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Toxicity LD50 | 8224.0 | mg/kg | 8224.0 | mg/kg | PO, oral; mouse; | DRUGBANK | Toxicity LD50 | 3710.0 | mg/kg | 3710.0 | mg/kg | PO, oral; Rattus, Rat; | DRUGBANK | Toxicity LD50 | 8224.0 | mg/kg | 8224.0 | mg/kg | PO, oral; mouse; | T3DB | Toxicity LD50 | 3710.0 | mg/kg | 3710.0 | mg/kg | PO, oral; Rattus, Rat; | T3DB |
| Protein Binding | 92.0 | % | 90-94 | % | 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