DIGITOXIGENIN
- Product NameDIGITOXIGENIN
- CAS143-62-4
- MFC23H34O4
- MW374.51
- EINECS205-603-4
- MOL File143-62-4.mol
Chemical Properties
| Melting point | 253-255 °C (dec.)(lit.) |
| Boiling point | 423.5°C (rough estimate) |
| alpha | D17 +19.1° (c = 1.36 in methanol) |
| Density | 1.0284 (rough estimate) |
| refractive index | 1.4433 (estimate) |
| storage temp. | Store at -20°C |
| solubility | DMF: 25 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 20 mg/ml; Ethanol: 5 mg/ml |
| form | powder to crystal |
| pka | 14.93±0.70(Predicted) |
| color | White to Almost white |
| optical activity | +2323 (c 0.5, CHCl3) |
| Water Solubility | 11.24mg/L(30 ºC) |
| Merck | 14,3162 |
| BRN | 95448 |
| Stability | Hygroscopic |
| InChIKey | XZTUSOXSLKTKJQ-CESUGQOBSA-N |
| SMILES | [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CC[C@H](O)C2 |
| LogP | 2.640 |
Safety Information
| Hazard Codes | T |
| Risk Statements | 25 |
| Safety Statements | 45 |
| RIDADR | UN 3462 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | FH4975000 |
| HS Code | 2938.90.0000 |
| HazardClass | 6.1(a) |
| PackingGroup | II |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Oral |
| Toxicity | cat,LDLo,intravenous,254ug/kg (0.254mg/kg),GASTROINTESTINAL: NAUSEA OR VOMITING,Journal of the American Pharmaceutical Association. Vol. 27, Pg. 189, 1938. |
