GHT
Summary
| Name: | Boldine |
| Formula: | C19 H19 N O4 |
| Formal charge: | 0 |
| Formula weight: | 325.358 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H19NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h6-9,21-22H,4-5H2,1-3H3 |
| InChIKey | InChI | 1.03 | XPRXRILREFALSL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2c(cc1O)cc3N(C)CCc4cc(O)c(OC)c2c34 |
| SMILES | CACTVS | 3.385 | COc1cc2c(cc1O)cc3N(C)CCc4cc(O)c(OC)c2c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCc2cc(c(c3c2c1cc4c3cc(c(c4)O)OC)OC)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCc2cc(c(c3c2c1cc4c3cc(c(c4)O)OC)OC)O |
