Resibufogenin
- Product NameResibufogenin
- CAS465-39-4
- CBNumberCB6254472
- MFC24H32O4
- MW384.51
- MDL NumberMFCD00210361
- MOL File465-39-4.mol
Chemical Properties
| Melting point: | 113-140°/155-168° |
| alpha | D22 -7.1° (c = 1.259 in chloroform); D16 -5.4° (c = 2.030 in chloroform) |
| Boiling point: | 431.17°C (rough estimate) |
| Density | 1.0474 (rough estimate) |
| refractive index | 1.4860 (estimate) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°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 | White to off-white solid. |
| pka | 15.14±0.70(Predicted) |
| color | White to off-white |
| Stability: | Moisture Sensitive |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChIKey | ATLJNLYIJOCWJE-CWMZOUAVSA-N |
| SMILES | C[C@@]12[C@@]3(O[C@@H]3C[C@@H]2C4=COC(C=C4)=O)[C@]5([H])CC[C@]6([H])C[C@@H](O)CC[C@]6(C)[C@@]5([H])CC1 |
Safety
| Symbol(GHS) |
 GHS06 |
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| Signal word | Danger | |||||||||
| Hazard statements | H300+H310+H330 | |||||||||
| Precautionary statements | P260-P262-P280-P301+P310+P330-P302+P352+P310-P304+P340+P310 | |||||||||
| Safety Statements | 24/25 | |||||||||
| RIDADR | 3172 | |||||||||
| WGK Germany | WGK 3 | |||||||||
| HazardClass | 6.1(a) | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 2932209090 | |||||||||
| Storage Class |
6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
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| Hazard Classifications |
Acute Tox. 2 Dermal Acute Tox. 2 Inhalation Acute Tox. 2 Oral |
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| Toxicity | LD50 oral in mouse: 59800mg/kg | |||||||||
| NFPA 704: |
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