G1I
Summary
| Name: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol |
| Formula: | C11 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 209.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{R},6~{R})-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H15NO3/c1-12-8-4-2-7-6(10(8)14)3-5-9(13)11(7)15/h3,5,8,10,12-15H,2,4H2,1H3/t8-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | VJBMHARWYAGTQQ-PSASIEDQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O |
| SMILES | CACTVS | 3.385 | CN[CH]1CCc2c(O)c(O)ccc2[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN[C@@H]1CCc2c(ccc(c2O)O)[C@H]1O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC1CCc2c(ccc(c2O)O)C1O |
