1108-68-5
| Name | Cinobufotalin |
| CAS | 1108-68-5 |
| Molecular Formula | C26H34O7 |
| MDL Number | MFCD00055946 |
| Molecular Weight | 458.54 |
| MOL File | 1108-68-5.mol |
Chemical Properties
| Melting point | 259-262° |
| alpha | D20 +11° |
| Boiling point | 627.3±55.0 °C(Predicted) |
| density | 1.34±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMF: 10 mg/ml; DMF:PBS (pH 7.2) (1:1): 0.5 mg/ml; DMSO: 5 mg/ml; Ethanol: 5 mg/ml |
| form | White to off-white solid. |
| pka | 14.67±0.70(Predicted) |
| color | White to off-white |
| InChIKey | KBKUJJFDSHBPPA-XYCOMLSLNA-N |
| SMILES | [C@]123O[C@@H]1[C@@H]([C@H](C1=COC(=O)C=C1)[C@@]2(C)CC[C@]1([H])[C@@]2(C)CC[C@H](O)C[C@@]2(O)CC[C@@]31[H])OC(=O)C |&1:0,2,3,4,12,16,18,22,25,29,r| |
| CAS DataBase Reference | 1108-68-5 |
Safety Data
| Hazard Codes | T+ |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 1 |
| WGK Germany | 3 |
| RTECS | EI2991000 |
| HazardClass | 6.1(a) |
| PackingGroup | II |
| Toxicity |