53-03-2
Product Name:
Prednisone
Formula:
C21H26O5
Synonyms:
1,4-Pregnadiene-17α,21-diol-3,11,20-trione;17α,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione;1-Cortisone;Dehydrocortisone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Prednisone is an odorless white crystalline powder. (NTP, 1992) |
|---|---|
| Color/Form | Crystals |
| Odor | Odorless |
| Taste | Persistent bitter after-taste |
| Melting Point | 451 to 455 °F (DEC) (NTP, 1992) |
| Solubility | Very slightly soluble (NTP, 1992) |
| LogP | 1.46 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Optical Rotation | Specific optical rotation: +172 deg at 25 °C/D (dioxane); max absorption (methanol): 238 nm (e = 15,500) |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides. |
| pH | Prednisone-syrup has a pH of 3-4.5 and contains 2-5% alcohol. Prednisone oral solution has a pH of 2.6-3.6 and contains 4-6% alcohol, and the oral concentrate solution has a pH of 3-4 and contains about 30% alcohol. |
| Collision Cross Section | 181.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Crystals, decomposes 226-232 °C, specific optical rotation: +186 (dioxane), maximum UV adsorption: 238 nm (E 16,1000) /21-Acetate/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H373:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. |
COMPUTED DESCRIPTORS
| Molecular Weight | 358.4 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 358.17802393 g/mol |
| Monoisotopic Mass | 358.17802393 g/mol |
| Topological Polar Surface Area | 91.7 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 764 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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
Prednisone is an odorless white crystalline powder. (NTP, 1992)