71-63-6
Product Name:
Digitoxin
Formula:
C41H64O13
Synonyms:
;Digitoxin;Digitoxoside;Lanatoxin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Digitoxin appears as odorless white or pale buff microcrystalline powder. Used as a cardiotonic drug. (EPA, 1998) |
|---|---|
| Color/Form | Very small elongated, rectangular plates from dilute alcohol |
| Odor | Odorless |
| Taste | Bitter |
| Melting Point | 493 to 495 °F when anhydrous (EPA, 1998) |
| Solubility | 3.9 mg/L (at 25 °C) |
| LogP | 1.85 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Optical Rotation | Specific optical rotation: +4.8 deg at 20 C/D (concn by volume = 1.2 g in 100 mL dioxane) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Other Experimental Properties | May contain 1/2 or 1 mole water or ethanol which is given up at 118 °C in vacuo. |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H300:Acute toxicity,oral H331:Acute toxicity,inhalation H373:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P314:Get medical advice/attention if you feel unwell. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 764.9 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 7 |
| Exact Mass | 764.43469209 g/mol |
| Monoisotopic Mass | 764.43469209 g/mol |
| Topological Polar Surface Area | 183 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1410 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 20 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Digitoxin appears as odorless white or pale buff microcrystalline powder. Used as a cardiotonic drug. (EPA, 1998)