1. Primary Information
| English name: | Citicoline sodium |
| CAS No.: | 33818-15-4 |
| Molecular formula: | C14H25N4NAO11P2 |
| Molecular weight: | 510.31 g/mol |
| SMILES: | C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O.[Na+] |
| Structural class: | |
| Other identifiers: |
5'-Diphosphocholine, Cytidine CDP Choline Choline, CDP Choline, Cytidine Diphosphate Cidifos |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 160 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 高纯，98% | 32 | -20℃ | in stock | - |
| Kehua Intelligence | 1g | 高纯，98% | 56 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | 高纯，98% | 144 | -20℃ | in stock | - |
| Kehua Intelligence | 25g | 高纯，98% | 400 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] 2-(trimethylazaniumyl)ethyl phosphate
4.2 InChI
InChI=1S/C14H26N4O11P2.Na/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21;/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25);/q;+1/p-1/t9-,11-,12-,13-;/m1./s1
4.3 InChIKey
YWAFNFGRBBBSPD-OCMLZEEQSA-M
4.4 Canonical SMILES
C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O.[Na+]
4.5 Isomeric SMILES
C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O.[Na+]
