Digitalis (CAS 1339-93-1) — formula C41H64O13, molecular weight 764.9; category organic chemicals.
| CAS Number | 1339-93-1 |
|---|---|
| Molecular Formula | C41H64O13 |
| Molecular Weight | 764.9 |
| Melting Point | 255.5 |
| LogP | 1.85 |
| Applications | Uses: MEDICATION, For digitoxin (USEPA, OPP Pesticide Code: 097002) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Use (kg, approx.) in Germany (2009): >10, Consumption (g per capita, approx.) in Germany (2009): 0.000122, Calculated removal (%): 2.3, For the treatment and management of congestive cardiac insufficiency, arrhythmias and heart failure., Use Classification: Pharmaceuticals, Methods of Manufacturing: Secondary glycoside from Digitalis purpurea L., Scrophulariaceae. Extracted from the dried leaves with 50% alcohol., Consumption Patterns: The chief therapeutic use for, digitoxin, is in the treatment of low output congestive heart failure (1985), U.S. Production: (1975) PROBABLY GREATER THAN 4.54X10+5 G, U.S. Imports: (1984) 4.54X10+3 g, Digitalis or purpurea, U.S. Exports: (1972) 2.7X10+7 G (GLYCOSIDES, DERIVATIVES), (1984) 5.10X10+7 g, Glycosides, Natural or reproduced by synthesis, bulk, General Manufacturing Information: Card-20(22)-enolide, 3-[(O-2, 6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2, 6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2, 6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta., 5.beta.)-: ACTIVE, Most active glycoside of Digitalis purpurea. |
| Category | Organic Chemicals |
Documented applications: Uses: MEDICATION, For digitoxin (USEPA, OPP Pesticide Code: 097002) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Use (kg, approx.) in Germany (2009): >10, Consumption (g per capita, approx.) in Germany (2009): 0.000122, Calculated removal (%): 2.3, For the treatment and management of congestive cardiac insufficiency, arrhythmias and heart failure., Use Classification: Pharmaceuticals, Methods of Manufacturing: Secondary glycoside from Digitalis purpurea L., Scrophulariaceae. Extracted from the dried leaves with 50% alcohol., Consumption Patterns: The chief therapeutic use for, digitoxin, is in the treatment of low output congestive heart failure (1985), U.S. Production: (1975) PROBABLY GREATER THAN 4.54X10+5 G, U.S. Imports: (1984) 4.54X10+3 g, Digitalis or purpurea, U.S. Exports: (1972) 2.7X10+7 G (GLYCOSIDES, DERIVATIVES), (1984) 5.10X10+7 g, Glycosides, Natural or reproduced by synthesis, bulk, General Manufacturing Information: Card-20(22)-enolide, 3-[(O-2, 6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2, 6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2, 6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta., 5.beta.)-: ACTIVE, Most active glycoside of Digitalis purpurea..
Digitalis is a carbon-based organic compound with CAS registry number 1339-93-1 and molecular formula C41H64O13 (molecular weight 764.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1339-93-1
Its molecular formula C41H64O13 comprises 41 C, 64 H, 13 O atoms.
Also known as: Digitalis · 洋地黄
Category: organic chemicals
The CAS registry number of Digitalis is 1339-93-1.
Molecular formula C41H64O13, molecular weight 764.9.
It is also registered under: Digitalis, 洋地黄.
Recorded applications: Uses: MEDICATION, For digitoxin (USEPA, OPP Pesticide Code: 097002) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Use (kg, approx.) in Germany (2009): >10, Consumption (g per capita, approx.) in Germany (2009): 0.000122, Calculated removal (%): 2.3, For the treatment and management of congestive cardiac insufficiency, arrhythmias and heart failure., Use Classification: Pharmaceuticals, Methods of Manufacturing: Secondary glycoside from Digitalis purpurea L., Scrophulariaceae. Extracted from the dried leaves with 50% alcohol., Consumption Patterns: The chief therapeutic use for, digitoxin, is in the treatment of low output congestive heart failure (1985), U.S. Production: (1975) PROBABLY GREATER THAN 4.54X10+5 G, U.S. Imports: (1984) 4.54X10+3 g, Digitalis or purpurea, U.S. Exports: (1972) 2.7X10+7 G (GLYCOSIDES, DERIVATIVES), (1984) 5.10X10+7 g, Glycosides, Natural or reproduced by synthesis, bulk, General Manufacturing Information: Card-20(22)-enolide, 3-[(O-2, 6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2, 6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2, 6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta., 5.beta.)-: ACTIVE, Most active glycoside of Digitalis purpurea..
Category: Organic Chemicals.
Independent reference data for Digitalis (CAS 1339-93-1), compiled from public chemistry databases.
| CAS 号 | 1339-93-1 |
|---|---|
| PubChem CID | 441207 |
| 分子式 | C41H64O13 |
| UNII（FDA） | E90NZP2L9U |
| Molecular Weight | 764.9 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 7 |
| Exact Mass | 764.43469209 |
| Monoisotopic Mass | 764.43469209 |
| Topological Polar Surface Area | 183 |
| Heavy Atom Count | 54 |
| Melting Point | 255.5 |
|---|---|
| Melting Point | 255.5 °C |
| Melting Point | MP: 256-257 °C (anhydrous) |
| Solubility | 3.9 |
| Solubility | In water, 3.9 mg/L at 25 °C |
| Solubility | 2.89e-02 g/L |
| LogP | 1.85 |
| LogP | log Kow = 1.85 |
| LogP | 3.42 |
digitoxin; 71-63-6; Digitoxoside; Crystodigin; Carditoxin; Cristapurat; Digitophyllin; Digitoxinum; Unidigin; Cardigin; Digitoksin; Purpurid; Cardidigin; Glucodigin; Lanatoxin; Digitoxina
| 已通报的危害声明 | H301, H331, H373, H300 (13.7%) |
|---|
洋地黄 · CAS 1339-93-1 · C41H64O13. UNII E90NZP2L9U. Melting Point: 255.5; Melting Point: 255.5 °C; Melting Point: MP: 256-257 °C (anhydrous).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 洋地黄