1. Primary Information
| English name: | Jectofer |
| CAS No.: | 62765-90-6 |
| Molecular formula: | C12H19FEO13 |
| Molecular weight: | 427.12 g/mol |
| SMILES: | C(C(C(C(C(CO)O)O)O)O)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Fe+3] |
| Structural class: | |
| Other identifiers: |
citric acid -iron -sorbitol citric acid, iron, sorbitol drug combination iron sorbitex iron sorbitol iron sorbitol citric acid complex |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 50mg | ≥90% | 656 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+)
4.2 InChI
InChI=1S/C6H8O7.C6H14O6.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-1-3(9)5(11)6(12)4(10)2-8;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-12H,1-2H2;/q;;+3/p-3/t;3-,4+,5-,6-;/m.1./s1
4.3 InChIKey
WNDUPUMWHYAJOR-SADXPQEKSA-K
4.4 Canonical SMILES
C(C(C(C(C(CO)O)O)O)O)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Fe+3]
4.5 Isomeric SMILES
C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Fe+3]
