SWA
Summary
| Name: | 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL |
| Synonyms: | SWAINSONINE |
| Formula: | C8 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 173.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S,2R,8R,8aR)-octahydroindolizine-1,2,8-triol |
| OpenEye OEToolkits | 1.5.0 | (1S,2R,4R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1CCCN2C1C(O)C(O)C2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1CCCN2C[C@@H](O)[C@@H](O)[C@@H]12 |
| SMILES | CACTVS | 3.341 | O[CH]1CCCN2C[CH](O)[CH](O)[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@H]([C@@H]2[C@@H]([C@@H](C[N@]2C1)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(C2C(C(CN2C1)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | FXUAIOOAOAVCGD-WCTZXXKLSA-N |
