Digitoxin
Digitoxin
CAS: 71-63-6
Molecular Formula: C41H64O13
Digitoxin - Names and Identifiers
Digitoxin - Physico-chemical Properties
| Molecular Formula | C41H64O13 |
| Molar Mass | 764.94 |
| Density | 1.0971 (rough estimate) |
| Melting Point | 240 °C (dec.)(lit.) |
| Boling Point | 654.47°C (rough estimate) |
| Specific Rotation(α) | D20 +4.8° (c = 1.2 in dioxane) |
| Flash Point | 9℃ |
| Water Solubility | 3.9mg/L(25 ºC) |
| Solubility | chloroform: soluble |
| Appearance | powder |
| Merck | 14,3163 |
| BRN | 76678 |
| pKa | 13.50±0.70(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 17 ° (C=2, CHCl3) |
| Physical and Chemical Properties | Chemical properties white or white-like crystalline powder. Melting point 256-257 ℃. Soluble in acid, chloroform, acetone and pyridine, slightly soluble in water and petroleum ether. No smell, bitter taste. Crystallization from dilute alcohol often contains half a molecule or a molecule of crystal water or a molecule of ethanol. Vacuum heating to 118 ℃ can be converted into anhydrous. |
| Use | Uses The product is the same as digoxin (iso-hydroxydigitroside), which can strengthen myocardial contractility, slow down heart rate and inhibit conduction. It is characterized by a slow and long-lasting start of action, and is suitable for long-term use in patients with chronic cardiac insufficiency. The product is not compatible with acid and alkali drugs. The oral LD50 of this product to guinea pigs and cats is 60.0 and 0.18 mg/kg respectively. |
Digitoxin - Risk and Safety
| Risk Codes | R23/25 - Toxic by inhalation and if swallowed. R33 - Danger of cumulative effects R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable |
| Safety Description | S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. S16 - Keep away from sources of ignition. |
| UN IDs | UN 2811 6.1/PG 1 |
| WGK Germany | 3 |
| RTECS | IH2275000 |
| FLUKA BRAND F CODES | 3-10 |
| TSCA | Yes |
| HS Code | 2938900000 |
| Hazard Class | 6.1(a) |
| Packing Group | II |
| Toxicity | LD50 in guinea pigs, cats (mg/kg): 60.0, 0.18 orally (Foerster) |
Digitoxin - Upstream Downstream Industry
Digitoxin - Uses and synthesis methods
biological activity
Digitoxin is an effective Na +/K +-ATPase inhibitor with an EC50 value of 0.78 μM.
Production method
In nature, the active ingredients of digitalis leaves and other cardiotonic drugs are steroidal glycosides, and the secretions of toads in animals also contain similar substances. In the digitalis glycoside molecule, sugar binds to the hydroxyl group of C3. Glycosides have a butene lactone structure. In the pharmaceutical industry, digitalis leaf powder is added with water to make alcohol at 28-35 ℃, fermented leaf powder is extracted with 70% ethanol, concentrated and filtered. The concentrated solution was removed at 28-30 ℃ for 4-6h, and then extracted with chloroform. The extract is washed with water, 5% sodium hydroxide solution and water in turn, concentrated to viscous form, added with anhydrous acetone crystal, placed overnight at 0-5 ℃, and filtered to obtain wet product. After column chromatography purification and digitoxin.
category
Toxic substances
Toxicity classification
Highly toxic
Acute toxicity
oral-rat LD50 23.75 mg/kg; Oral-mouse LD50: 4.95 mg/kg
Stimulus data
eye-dog 1%/24 h positive
flammability hazard characteristics
Flammable, hot and irritating smoke from the fire site
storage and transportation features
The warehouse is low temperature, ventilated and dry; stored separately from food ingredients
Fire extinguishing agent
Water, carbon dioxide, dry powder, sand
Last Update：2024-04-10 22:29:15
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View History
Raw Materials for Digitoxin
PENTYL ETHER
Lead acetate
Hydrogen Sulfide
D-ribo-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-4-O-[2,6-dideoxy-3,4-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-β-D-ribo-hexopyranosyl]-3-O-[(1,1-dimethylethyl)dimethylsilyl]-
5-Hexyne-2,3-diol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 2-benzoate, (2R,3R,4S)-
D-ribo-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-3,4-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-
Lead acetate
Hydrogen Sulfide
D-ribo-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-4-O-[2,6-dideoxy-3,4-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-β-D-ribo-hexopyranosyl]-3-O-[(1,1-dimethylethyl)dimethylsilyl]-
5-Hexyne-2,3-diol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 2-benzoate, (2R,3R,4S)-
D-ribo-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-3,4-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-