| 名称 | 内容 |
|---|---|
| kegg编号 | C20358 |
| pubchemid | 163312096 |
| name | Caloxetate trisodium |
| formula | C23H28N3O11. 3Na. Ca |
| structure |  |
| Isomeric_Smiles | CO[C@@H]1CC[C@@H](C[C@H]1NC(=O)CCC2=CC(=O)NO2)C(=O)N3CCOCC3 |
| Cannoical_Smiles | COC1CCC(CC1NC(=O)CCC2=CC(=O)NO2)C(=O)N3CCOCC3 |
| Gotenzyme_Smiles | CCOc1ccc(CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc1.[Ca+2].[Na+].[Na+].[Na+] |
