Synonym: 3,7-Dihydro-8-[(1E)-2-(3-Methoxyphenyl)ethenyl]-7-methyl-3-[3-(phosphonooxy)propyl-1-(2-propynyl)-1H-purine-2,6-dione disodium salt hydrate
CAS Number: 261717-23-1 (anhydrous)
Empirical Formula (Hill Notation): C21H21N4O7PNa2 · xH2O
Molecular Weight: 518.37 (anhydrous basis)
MDL Number: MFCD11046008
Linear Formula: C21H21N4O7PNa2 · xH2O
Product Type: Chemical
| assay |
≥98% (HPLC) |
| color |
pale yellow |
| form |
solid |
| InChI |
1S/C21H23N4O7P.2Na.H2O/c1-4-11-25-20(26)18-19(24(21(25)27)12-6-13-32-33(28,29)30)22-17(23(18)2)10-9-15-7-5-8-16(14-15)31-3;;;/h1,5,7-10,14H,6,11-13H2,2-3H3,(H2,28,29,30);;;1H2/q;2*+1;/p-2/b10-9+;;; |
| InChI key |
FANGYFUIIWHEAQ-WCVSPGPUSA-L |
| Quality Level |
100  |
| SMILES string |
O.[Na+].[Na+].COc1cccc(C=Cc2nc3N(CCCOP([O-])([O-])=O)C(=O)N(CC#C)C(=O)c3n2C)c1 |
| solubility |
H2O: soluble >5 mg/mL at 60 °C |
| storage condition |
protect from light |
| storage temp. |
−20°C |
| Biochem/physiol Actions: |
Selective A2A adenosine receptor antagonist prodrug. |
| Disclaimer: |
Photosensitive and air sensitive |
| General description: |
Soluble with gradual warming to temperature for 10 minutes. Solution might appear slightly unclear when it is freshly made. |
| Packaging: |
5, 25 mg in glass bottle |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥98% (HPLC) |
| Storage Temp. |
−20°C |
| UNSPSC |
12352200 |
