Basic Information
| Drug ID | DDPD00184 |
|
| Drug Name | Nicotine | |
| Molecular Weight | 162.2316 | |
| Molecular Formula | C10H14N2 | |
| CAS Number | 54-11-5 | |
| SMILES | CN1CCC[C@H]1C1=CN=CC=C1 | |
| External Links | ||
| DRUGBANK | DB00184 | |
| T3DB | T3D0799 | |
| PubChem Compound | 89594 | |
| PDR | 1824 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Caco-2 Permeability | -4.71 | - | -4.71 | - | ADME Research, USCD |
| Log P | 1.17 | - | 1.17 | - | HANSCH,C ET AL. (1995) |
| Boiling Point | 247.0 | ℃ | 247 | ℃ | PhysProp |
| Melting Point | -79.0 | ℃ | -79 | ℃ | PhysProp |
| Water Solubility | 1000000.0 | mg/L | 1000000 | mg/L | SEIDELL,A 1941) |
| pKa | 8.5 | - | 8.5 | - | http://www.surgeongeneral.gov/library/reports/50-years-of-progress/sgr50-chap-5.pdf |
| Log S | 0.79 | - | 0.79 | - | ADME Research, USCD |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Clearance | 72.0 | L/h | 1.2 | L/min | adults; normal,healthy; Somking; | DRUGBANK | Clearance | 1.1 | L/h/kg | 18 | ml/min/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Volume of Distribution | 2.5 | L/kg | 2.0-3 | L/kg | DRUGBANK | Volume of Distribution | 2.6 | L/kg | 2.6 | L/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Half-life | 2.0 | h | 1-3 | h | DRUGBANK | Half-life | 2.0 | h | 2 | h | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Toxicity LD50 | 24.0 | mg/kg | 24.0 | mg/kg | PO, oral; mouse; | DRUGBANK | Toxicity LD50 | 140.0 | mg/kg | 140.0 | mg/kg | skin/dermal; Rattus, Rat; | T3DB | Toxicity LD50 | 25.0 | mg/kg | 25.0 | mg/kg | subcutaneous injection, SC; Rattus, Rat; | T3DB | Toxicity LD50 | 5.9 | mg/kg | 5900.0 | ug/kg | Intraperitoneal, IP; mouse; | T3DB | Toxicity LD50 | 2.8 | mg/kg | 2.8 | mg/kg | intravenous injection, IV; Rattus, Rat; | T3DB | Toxicity LD50 | 24.0 | mg/kg | 24.0 | mg/kg | PO, oral; mouse; | T3DB |
| Toxicity Lethal Dose | 50.0 | mg | 40-60 | mg | adults; human, homo sapiens; | T3DB |
| Eliminate Route | 10.0 | % | ~10 | % | Urinary excretion; Unchanged drug; | DRUGBANK |
| Protein Binding | 5.0 | % | <5 | % | DRUGBANK |
Maximum Dosage
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Brand Name | Component | Reference |
|---|---|---|---|---|---|---|---|---|
| Max dose for adolescents | 24.0 | pieces/day | 24 | pieces/day | PO, oral | Nicotrol NS | nicotine | PDR |
| Max dose for adolescents | 21.0 | mg/day | 21 | mg/day | skin/dermal | Nicotrol NS | nicotine | PDR |
| Max dose for adolescents | 14.0 | mg/day | 14 | mg/day | skin/dermal | Nicotrol NS | nicotine | PDR |
| Max dose for adults | 24.0 | pieces/day | 24 | pieces/day | PO, oral | Nicotrol NS | nicotine | PDR |
| Max dose for adults | 21.0 | mg/day | 21 | mg/day | skin/dermal | Nicotrol NS | nicotine | PDR |
| Max dose for adults | 20.0 | Lozenges/day | 20 | Lozenges/day | PO, oral | Nicotrol NS | nicotine | PDR |
| Max dose for adults | 40.0 | sprays/day | 40 | sprays/day | nasal spray | Nicotrol NS | nicotine | PDR |
| Max dose for adults | 64.0 | mg/day | 64 | mg/day | inhalation, IH | Nicotrol NS | nicotine | PDR |
| Max dose for geriatric | 24.0 | pieces/day | 24 | pieces/day | PO, oral | Nicotrol NS | nicotine | PDR |
| Max dose for geriatric | 21.0 | mg/day | 21 | mg/day | skin/dermal | Nicotrol NS | nicotine | PDR |
| Max dose for geriatric | 20.0 | lozenges/day | 20 | lozenges/day | PO, oral | Nicotrol NS | nicotine | PDR |
| Max dose for geriatric | 40.0 | sprays/day | 40 | sprays/day | nasal spray | Nicotrol NS | nicotine | PDR |
| Max dose for geriatric | 64.0 | mg/day | 64 | mg/day | inhalation, IH | Nicotrol NS | nicotine | 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