Showing drug card for Vanoxerine (DB03701)
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| Version | 2.5 |
| Creation Date | 2005-06-13 13:24:05 |
| Update Date | 2008-08-26 14:29:54 |
| Primary Accession Number | DB03701 |
| Secondary Accession Number |
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| Name | Vanoxerine |
| Drug Type |
|
| Description | Not Available |
| Synonyms | Not Available |
| Brand Names |
|
| Brand Mixtures | Not Available |
| Chemical IUPAC Name | N-[(2-chloro-1-phenylethylidene)amino]-2,4-dinitroaniline |
| Chemical Formula | C14H11ClN4O4 |
| Chemical Structure | |
| CAS Registry Number | Not Available |
| InChI Identifier | InChI=1/C14H11ClN4O4/c15-9-13(10-4-2-1-3-5-10)17-16-12-7-6-11(18(20)21)8-14(12)19(22)23/h1-8,16H,9H2 |
| InChI Key | HNLCJXKVYWWDTN-UHFFFAOYAG |
| KEGG Drug | Not Available |
| KEGG Compound | Not Available |
| PubChem Compound | 38003  |
| PubChem Substance | Not Available |
| 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 | Not Available |
| FDA Label | Not Available |
| Material Safety Data Sheet (MSDS) | Not Available |
| Synthesis Reference | Not Available |
| Average Molecular Weight | 334.7150 |
| Monoisotopic Molecular Weight | 334.0469 |
| State | Solid |
| Melting Point | Not Available |
| Experimental Water Solubility | Not Available Source: PhysProp |
| Predicted Water Solubility | 2.19e-03 mg/mL Calculated using ALOGPS |
| Experimental LogP/Hydrophobicity | Not Available Source: PhysProp |
| Predicted LogP | 4.49 Calculated using ALOGPS |
| Experimental LogS | Not Available |
| Predicted LogS | -5.18 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 | [O-][N+](=O)C1=CC(=C(N\N=C(/CCl)C2=CC=CC=C2)C=C1)[N+]([O-])=O |
| Canonical SMILES | [O-][N+](=O)C1=CC(=C(NN=C(CCl)C2=CC=CC=C2)C=C1)[N+]([O-])=O |
| Drug Category |
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| 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 | Not Available |
| Organisms Affected | Not Available |