CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Digoxin appears as clear to white crystals or white crystalline powder. Odorless. Used as a cardiotonic drug. (EPA, 1998) |
|---|---|
| Color/Form | Colorless to white crystals, or white crystalline powder |
| Odor | Odorless |
| Taste | Bitter |
| Boiling Point | 931.6 |
| Melting Point | 446 to 509 °F Decomposes. (EPA, 1998) |
| Solubility | 64.8 mg/L (at 25 °C) |
| Density | 1.36 g/cu cm at 20 °C |
| LogP | 2.37 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Optical Rotation | Prisms from methanol + chloroform. Decomposes at 225 °C. Specific optical rotation: +18.9 °C at 20 °C/D (pyridine). Very sparingly soluble in ethyl acetate /alpha-Acetyldigoxin/ |
| Dissociation Constants | -3, 7.15 |
| Collision Cross Section | 322.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
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 | 780.9 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 7 |
| Exact Mass | 780.42960671 g/mol |
| Monoisotopic Mass | 780.42960671 g/mol |
| Topological Polar Surface Area | 203 Ų |
| Heavy Atom Count | 55 |
| Formal Charge | 0 |
| Complexity | 1450 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 21 |
| 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
Digoxin appears as clear to white crystals or white crystalline powder. Odorless. Used as a cardiotonic drug. (EPA, 1998)