Showing drug card for Antrafenine (DB01419)
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| Version | 2.5 |
| Creation Date | 2007-07-24 08:34:40 |
| Update Date | 2009-06-23 18:07:49 |
| Primary Accession Number | DB01419 |
| Secondary Accession Number | Not Available |
| Name | Antrafenine |
| Drug Type |
|
| Description | Antrafenine is a piperazine derivative drug that acts as an analgesic and anti-inflammatory drug with similar efficacy to naproxen. It is not widely used as it has largely been replaced by newer drugs. |
| Synonyms | Not Available |
| Brand Names | Not Available |
| Brand Mixtures | Not Available |
| Chemical IUPAC Name | 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate |
| Chemical Formula | C30H26F6N4O2 |
| Chemical Structure | |
| CAS Registry Number | 55300-30-6 |
| InChI Identifier | InChI=1/C30H26F6N4O2/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,37,38)/f/h38H |
| InChI Key | NWGGKKGAFZIVBJ-GLAYEKRECF |
| KEGG Drug | Not Available |
| KEGG Compound | Not Available |
| PubChem Compound | 68723  |
| PubChem Substance | 15012903 |
| ChEBI ID | Not Available |
| PharmGKB ID | Not Available |
| HET ID | Not Available |
| GenBank ID | Not Available |
| Drug ID Number [DIN] | Not Available |
| RxList Link | Not Available |
| PDRhealth Link | Not Available |
| Wikipedia Link | http://en.wikipedia.org/wiki/Antrafenine |
| FDA Label | Not Available |
| Material Safety Data Sheet (MSDS) | Not Available |
| Synthesis Reference | Not Available |
| Average Molecular Weight | 588.5435 |
| Monoisotopic Molecular Weight | 588.1960 |
| State | Solid |
| Melting Point | Not Available |
| Experimental Water Solubility | Not Available Source: PhysProp |
| Predicted Water Solubility | 2.84e-03 mg/mL Calculated using ALOGPS |
| Experimental LogP/Hydrophobicity | Not Available Source: PhysProp |
| Predicted LogP | 6.30 Calculated using ALOGPS |
| Experimental LogS | Not Available |
| Predicted LogS | -5.32 Calculated using ALOGPS |
| Experimental Caco2 Permeability | Not Available |
| pKa/Isoelectric Point | Not Available |
| Mass Spectrum | Not Available |
| MOL File | Show | Download |
| SDF File | Show | Download |
| PDB File | Show | Download |
| 2D Structure | |
| 3D Structure | |
| Experimental PDB ID | Not Available |
| Isomeric SMILES | FC(F)(F)C1=CC(=CC=C1)N1CCN(CCOC(=O)C2=CC=CC=C2NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CC1 |
| Canonical SMILES | FC(F)(F)C1=CC(=CC=C1)N1CCN(CCOC(=O)C2=CC=CC=C2NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CC1 |
| Drug Category | Not Available |
| ATC Codes | Not Available |
| AHFS Codes | Not Available |
| Indication | Not Available |
| Pharmacology | Not Available |
| Mechanism of Action | Not Available |
| Absorption | Not Available |
| Toxicity | Not Available |
| Protein Binding | Not Available |
| Biotransformation | Not Available |
| Half Life | Not Available |
| Dosage Forms | Not Available |
| Patient Information | Not Available |
| Contraindications | Not Available |
| Interactions | Not Available |
| Drug Interactions | Not Available |
| Food Interactions | Not Available |
| Pathways | Not Available |
| General References | |
| Organisms Affected | Not Available |