470-37-1
| Name | Cinobufagin |
| CAS | 470-37-1 |
| EINECS(EC#) | 205-398-1 |
| Molecular Formula | C26H34O6 |
| MDL Number | MFCD00004369 |
| Molecular Weight | 442.55 |
| MOL File | 470-37-1.mol |
Chemical Properties
| Melting point | 133 °C(lit.) |
| Boiling point | 300 °C(lit.) |
| density | 1.261 g/cm3 |
| Fp | >230 °F |
| storage temp. | 2-8°C |
| solubility | DMF: 10 mg/ml; DMSO: 10 mg/ml; DMSO:PBS (pH 7.2) (1:2): 0.33 mg/ml |
| form | powder to crystal |
| pka | 15.10±0.70(Predicted) |
| color | White to Light yellow |
| InChIKey | SCULJPGYOQQXTK-QZXYOKJUNA-N |
| SMILES | C[C@]12CC[C@]3([H])[C@]4(CC[C@H](O)C[C@@]4([H])CC[C@@]3([H])[C@@]31O[C@@H]3[C@H](OC(=O)C)[C@@H]2C1=COC(=O)C=C1)C |&1:1,4,6,9,12,16,18,20,21,26,r| |
Safety Data
| Hazard Codes | Xi,T+,Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 1 |
| WGK Germany | 3 |
| RTECS | GD7850000 |
| HazardClass | 6.1(a) |
| PackingGroup | II |
| HS Code | 29322090 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 1 Inhalation Acute Tox. 2 Dermal Acute Tox. 2 Oral |