ZK1
{[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid
| Created: | 2009-11-13 |
| Last modified: | 2020-06-05 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 42 |
| Chiral Atom Count | 0 |
| Bond Count | 44 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid |
| Synonyms | [[3,4-Dihydro-7-(4-morpholinyl)-2,3-dioxo-6-(trifluorom ethyl)-1(2H)-quinoxalinyl]methyl]phosphonic acid |
| Systematic Name (OpenEye OEToolkits) | [7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid |
| Formula | C14 H15 F3 N3 O6 P |
| Molecular Weight | 409.254 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.352 | O[P](O)(=O)CN1C(=O)C(=O)Nc2cc(c(cc12)N3CCOCC3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F |
| Canonical SMILES | CACTVS | 3.352 | O[P](O)(=O)CN1C(=O)C(=O)Nc2cc(c(cc12)N3CCOCC3)C(F)(F)F |
| Canonical SMILES | OpenEye OEToolkits | 1.7.0 | c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25) |
| InChIKey | InChI | 1.03 | WZMQMKNCWDCCMT-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB12393 |
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| Name | Fanapanel |
| Groups | investigational |
| Description | Fanapanel has been investigated for the treatment of Visual Acuity. |
| Synonyms | Fanapanel |
| Categories |
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| CAS number | 161605-73-8 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 208953 |
| ChEMBL | CHEMBL19892 |
