Basic Information
| Drug ID | DDPD00907 |
|
| Drug Name | Cocaine | |
| Molecular Weight | 303.3529 | |
| Molecular Formula | C17H21NO4 | |
| CAS Number | 50-36-2 | |
| SMILES | [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C | |
| External Links | ||
| DRUGBANK | DB00907 | |
| T3DB | T3D2927 | |
| PubChem Compound | 446220 | |
| PDR | 24183 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 2.3 | - | 2.3 | - | HANSCH,C ET AL. (1995) |
| Melting Point | 98.0 | ℃ | 98 | ℃ | PhysProp |
| Water Solubility | 1800.0 | mg/L | 1800 | mg/L | YALKOWSKY,SH & DANNENFELSER,RM 1992) |
| pKa | 8.61 | - | 8.61 | - | MERCK INDEX (1996) |
| Log S | -2.23 | - | -2.23 | - | ADME Research, USCD |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Bioavailability | 70.0 | % | 60-80 | % | inhalation, IH; | DRUGBANK |
| Clearance | 1.9 | L/h/kg | 32 | ml/min/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Volume of Distribution | 2.0 | L/kg | 2 | L/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Half-life | 1.0 | h | 1 | h | DRUGBANK | Half-life | 0.76 | h | 0.76 | h | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Toxicity LD50 | 96.0 | mg/kg | 96.0 | mg/kg | PO, oral; mouse; | DRUGBANK | Toxicity LD50 | 96.0 | mg/kg | 96.0 | mg/kg | PO, oral; mouse; | T3DB | Toxicity LD50 | 95.1 | mg/kg | 95.1 | mg/kg | Intraperitoneal, IP; mouse; | T3DB |
Maximum Dosage
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Brand Name | Component | Reference |
|---|---|---|---|---|---|---|---|---|
| Max dose for children | 3.0 | mg/kg | 3 | mg/kg | skin/dermal | Goprelto | cocaine hydrochloride | PDR |
| Max dose for adolescents | 3.0 | mg/kg | 3 | mg/kg | skin/dermal | Goprelto | cocaine hydrochloride | PDR |
| Max dose for adults | 200.0 | mg | 200 | mg | skin/dermal | Goprelto | cocaine hydrochloride | PDR |
| Max dose for adults | 3.0 | mg/kg | 3 | mg/kg | intranasal | Goprelto | cocaine hydrochloride | PDR |
| Max dose for adults | 160.0 | mg | 160 | mg | intranasal | Goprelto | cocaine hydrochloride | PDR |
| Max dose for geriatric | 200.0 | mg | 200 | mg | skin/dermal | Goprelto | cocaine hydrochloride | PDR |
| Max dose for geriatric | 3.0 | mg/kg | 3 | mg/kg | intranasal | Goprelto | cocaine hydrochloride | PDR |
| Max dose for geriatric | 160.0 | mg | 160 | mg | intranasal | Goprelto | cocaine 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